N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid

C55H59N7O7 — CID 159311915

IUPACN-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid
SMILESCC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc23)C1=O.O=C(O)c1ccccn1
InChIInChI=1S/C27H28N4O3.C22H26N2O2.C6H5NO2/c1-26(2)15-27(9-10-27)21-18-13-16(6-7-19(18)30-22(21)23(26)32)24(33)29-17-8-12-31(14-17)25(34)20-5-3-4-11-28-20;1-21(2)12-22(9-10-22)17-15-11-13(20(26)23-14-5-3-4-6-14)7-8-16(15)24-18(17)19(21)25;8-6(9)5-3-1-2-4-7-5/h3-7,11,13,17,30H,8-10,12,14-15H2,1-2H3,(H,29,33);7-8,11,14,24H,3-6,9-10,12H2,1-2H3,(H,23,26);1-4H,(H,8,9)
InChIKeyLCQSBHZMTCVNAZ-UHFFFAOYSA-N
MW930.12 g/mol
LogP9.12
Rot. Bonds6

About N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid

N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid (PubChem CID 159311915) has the molecular formula C55H59N7O7 and a molecular weight of 930.12 g/mol. Its IUPAC name is N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid
PubChem CID159311915
Molecular FormulaC55H59N7O7
Molecular Weight930.12 g/mol
Exact Mass929.45
IUPAC NameN-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid
SMILESCC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc23)C1=O.O=C(O)c1ccccn1
InChIInChI=1S/C27H28N4O3.C22H26N2O2.C6H5NO2/c1-26(2)15-27(9-10-27)21-18-13-16(6-7-19(18)30-22(21)23(26)32)24(33)29-17-8-12-31(14-17)25(34)20-5-3-4-11-28-20;1-21(2)12-22(9-10-22)17-15-11-13(20(26)23-14-5-3-4-6-14)7-8-16(15)24-18(17)19(21)25;8-6(9)5-3-1-2-4-7-5/h3-7,11,13,17,30H,8-10,12,14-15H2,1-2H3,(H,29,33);7-8,11,14,24H,3-6,9-10,12H2,1-2H3,(H,23,26);1-4H,(H,8,9)
InChIKeyLCQSBHZMTCVNAZ-UHFFFAOYSA-N
XLogP9.12
TPSA207.31 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.12
LogP ≤ 59.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 71276410
5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
CID 144535029
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 97237121
15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide
CID 136609417
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
2-amino-N-cyclopentyl-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxamide;2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carboxylic acid;tert-butyl 3-[(2-amino-6,6-dimethyl-5,11-dihydropyrimido[4,5-a]carbazole-8-carbonyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-aminopyrrolidine-1-carboxylate
CID 159958266
6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
CID 71276412
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
[(3S)-3-[(2-phenylquinazolin-4-yl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97016537
N-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55721169
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid?
The IUPAC name of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid (CID 159311915) is N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid.
What is the SMILES notation for N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid?
The canonical SMILES for N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid is CC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc23)C1=O.O=C(O)c1ccccn1.
What is the InChIKey of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid?
The InChIKey is LCQSBHZMTCVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3.C22H26N2O2.C6H5NO2/c1-26(2)15-27(9-10-27)21-18-13-16(6-7-19(18)30-22(21)23(26)32)24(33)29-17-8-12-31(14-17)25(34)20-5-3-4-11-28-20;1-21(2)12-22(9-10-22)17-15-11-13(20(26)23-14-5-3-4-6-14)7-8-16(15)24-18(17)19(21)25;8-6(9)5-3-1-2-4-7-5/h3-7,11,13,17,30H,8-10,12,14-15H2,1-2H3,(H,29,33);7-8,11,14,24H,3-6,9-10,12H2,1-2H3,(H,23,26);1-4H,(H,8,9).
What are the key properties of N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid?
N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid has a molecular weight of 930.12 g/mol, XLogP of 9.12, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid is sourced from PubChem (CID 159311915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).