4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine

C60H52F4N10O7 — CID 159786978

IUPAC4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine
SMILESCN(C)C(=O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.CNC.O=C(O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1
InChIInChI=1S/C30H25F2N5O3.C28H20F2N4O4.C2H7N/c1-36(2)30(40)27-15-19(21-8-10-26-22(21)5-3-11-33-26)14-20(35-27)16-34-28(38)23-6-4-12-37(29(23)39)17-18-7-9-24(31)25(32)13-18;29-22-7-5-16(11-23(22)30)15-34-10-2-4-21(27(34)36)26(35)32-14-18-12-17(13-25(33-18)28(37)38)19-6-8-24-20(19)3-1-9-31-24;1-3-2/h3-9,11-15H,10,16-17H2,1-2H3,(H,34,38);1-7,9-13H,8,14-15H2,(H,32,35)(H,37,38);3H,1-2H3
InChIKeyNIBNMHHRAFMQNA-UHFFFAOYSA-N
MW1101.13 g/mol
LogP7.00
Rot. Bonds14

About 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine

4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine (PubChem CID 159786978) has the molecular formula C60H52F4N10O7 and a molecular weight of 1101.13 g/mol. Its IUPAC name is 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine.

Molecular Properties

Compound Name4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine
PubChem CID159786978
Molecular FormulaC60H52F4N10O7
Molecular Weight1101.13 g/mol
Exact Mass1100.40
IUPAC Name4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine
SMILESCN(C)C(=O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.CNC.O=C(O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1
InChIInChI=1S/C30H25F2N5O3.C28H20F2N4O4.C2H7N/c1-36(2)30(40)27-15-19(21-8-10-26-22(21)5-3-11-33-26)14-20(35-27)16-34-28(38)23-6-4-12-37(29(23)39)17-18-7-9-24(31)25(32)13-18;29-22-7-5-16(11-23(22)30)15-34-10-2-4-21(27(34)36)26(35)32-14-18-12-17(13-25(33-18)28(37)38)19-6-8-24-20(19)3-1-9-31-24;1-3-2/h3-9,11-15H,10,16-17H2,1-2H3,(H,34,38);1-7,9-13H,8,14-15H2,(H,32,35)(H,37,38);3H,1-2H3
InChIKeyNIBNMHHRAFMQNA-UHFFFAOYSA-N
XLogP7.00
TPSA223.40 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.13
LogP ≤ 57.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine with MolForge

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Related Compounds

6-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(isoquinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 122178107
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);samarium
CID 139213299
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);europium
CID 139213314
Tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid);terbium
CID 139213329
Dysprosium;tris(6-(ethylcarbamoyl)-4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid)
CID 139213344
N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-3-[5-hydroxy-5-(2-pyridinyl)-4,5-dihydro-3-isoxazolyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 66895805
6-[[[(1R)-1-(2,4-difluorophenyl)propyl]-(isoquinoline-3-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 68288169
5-[3,3-Difluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methylpyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69243400
5-[3-Fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]propyl]pyridine-2-carboxylic acid
CID 69244084
5-[3,3-Difluoro-3-[2-methyl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69244524
5-[3-Fluoro-3-[2-methyl-6-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-4-yl]propyl]pyridine-2-carboxylic acid
CID 69244546
5-[3-Fluoro-3-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methylpyridin-4-yl]propyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 69245096

Frequently Asked Questions

What is the IUPAC name of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine?
The IUPAC name of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine (CID 159786978) is 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine.
What is the SMILES notation for 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine?
The canonical SMILES for 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine is CN(C)C(=O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.CNC.O=C(O)c1cc(C2=CCc3ncccc32)cc(CNC(=O)c2cccn(Cc3ccc(F)c(F)c3)c2=O)n1.
What is the InChIKey of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine?
The InChIKey is NIBNMHHRAFMQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O3.C28H20F2N4O4.C2H7N/c1-36(2)30(40)27-15-19(21-8-10-26-22(21)5-3-11-33-26)14-20(35-27)16-34-28(38)23-6-4-12-37(29(23)39)17-18-7-9-24(31)25(32)13-18;29-22-7-5-16(11-23(22)30)15-34-10-2-4-21(27(34)36)26(35)32-14-18-12-17(13-25(33-18)28(37)38)19-6-8-24-20(19)3-1-9-31-24;1-3-2/h3-9,11-15H,10,16-17H2,1-2H3,(H,34,38);1-7,9-13H,8,14-15H2,(H,32,35)(H,37,38);3H,1-2H3.
What are the key properties of 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine?
4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine has a molecular weight of 1101.13 g/mol, XLogP of 7.00, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-N,N-dimethylpyridine-2-carboxamide;4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid;N-methylmethanamine is sourced from PubChem (CID 159786978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).