6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide

C30H37FN4O2 — CID 166932355

IUPAC6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2)CCCCC1)C1C2CC3CC1C(C(=O)Nc1ccncc1)(C3)C2
InChIInChI=1S/C30H37FN4O2/c31-22-6-4-21(5-7-22)29(10-2-1-3-11-29)27(36)34-18-25(32)26-20-14-19-15-24(26)30(16-19,17-20)28(37)35-23-8-12-33-13-9-23/h4-9,12-13,19-20,24-26H,1-3,10-11,14-18,32H2,(H,34,36)(H,33,35,37)
InChIKeyJYLJJUQWPYPJGP-UHFFFAOYSA-N
MW504.65 g/mol
LogP4.56
Rot. Bonds7

About 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide

6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166932355) has the molecular formula C30H37FN4O2 and a molecular weight of 504.65 g/mol. Its IUPAC name is 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166932355
Molecular FormulaC30H37FN4O2
Molecular Weight504.65 g/mol
Exact Mass504.29
IUPAC Name6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(CNC(=O)C1(c2ccc(F)cc2)CCCCC1)C1C2CC3CC1C(C(=O)Nc1ccncc1)(C3)C2
InChIInChI=1S/C30H37FN4O2/c31-22-6-4-21(5-7-22)29(10-2-1-3-11-29)27(36)34-18-25(32)26-20-14-19-15-24(26)30(16-19,17-20)28(37)35-23-8-12-33-13-9-23/h4-9,12-13,19-20,24-26H,1-3,10-11,14-18,32H2,(H,34,36)(H,33,35,37)
InChIKeyJYLJJUQWPYPJGP-UHFFFAOYSA-N
XLogP4.56
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.65
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-amino-2-[[1-(4-fluorophenyl)cyclobutanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 166932320
4-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763090
3-[1-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]ethyl]-1-methyl-5-(2-methylpropyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 166932325
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 166932067
N-[2-amino-2-(4-formylcyclohexyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 166932106
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763121
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
6-[1-amino-2-[[2-(3,4-difluorophenyl)-2-methylpropanoyl]amino]ethyl]-3,7-dimethyl-N-pyridin-4-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 166932335
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
4-[1-amino-2-[(4-chloro-2,3-dihydro-1H-indene-1-carbonyl)amino]ethyl]-N-pyridin-4-yladamantane-1-carboxamide
CID 86763092
4-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 67535749

Frequently Asked Questions

What is the IUPAC name of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166932355) is 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(CNC(=O)C1(c2ccc(F)cc2)CCCCC1)C1C2CC3CC1C(C(=O)Nc1ccncc1)(C3)C2.
What is the InChIKey of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is JYLJJUQWPYPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O2/c31-22-6-4-21(5-7-22)29(10-2-1-3-11-29)27(36)34-18-25(32)26-20-14-19-15-24(26)30(16-19,17-20)28(37)35-23-8-12-33-13-9-23/h4-9,12-13,19-20,24-26H,1-3,10-11,14-18,32H2,(H,34,36)(H,33,35,37).
What are the key properties of 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 504.65 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-amino-2-[[1-(4-fluorophenyl)cyclohexanecarbonyl]amino]ethyl]-N-pyridin-4-yltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166932355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).