4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide

C15H21N3O — CID 102773349

IUPAC4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CCc3cccnc32)CC1
InChIInChI=1S/C15H21N3O/c16-15(19)11-3-6-12(7-4-11)18-13-8-5-10-2-1-9-17-14(10)13/h1-2,9,11-13,18H,3-8H2,(H2,16,19)
InChIKeySNDCHKAKZNMURS-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.70
Rot. Bonds3

About 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide (PubChem CID 102773349) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide
PubChem CID102773349
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC2CCc3cccnc32)CC1
InChIInChI=1S/C15H21N3O/c16-15(19)11-3-6-12(7-4-11)18-13-8-5-10-2-1-9-17-14(10)13/h1-2,9,11-13,18H,3-8H2,(H2,16,19)
InChIKeySNDCHKAKZNMURS-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773868
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102772556
4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclohexane-1-carboxamide
CID 43791690
5-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-1-methylpiperidin-2-one
CID 102773865
N-(2-adamantyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773161
N-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)phenyl]acetamide
CID 102772462
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butanamide
CID 170583156
N-cyclopropyl-7-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 112715640
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
2-chloro-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
ethyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propanoate
CID 102773602
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-1-piperidin-1-ylpropan-1-one
CID 102773485

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide (CID 102773349) is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NC2CCc3cccnc32)CC1.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide?
The InChIKey is SNDCHKAKZNMURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15(19)11-3-6-12(7-4-11)18-13-8-5-10-2-1-9-17-14(10)13/h1-2,9,11-13,18H,3-8H2,(H2,16,19).
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide?
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 102773349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).