3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide

C18H28N4O — CID 119846498

IUPAC3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(N3CCCCCC3)nc2)C1
InChIInChI=1S/C18H28N4O/c19-16-7-6-15(11-16)18(23)21-13-14-5-8-17(20-12-14)22-9-3-1-2-4-10-22/h5,8,12,15-16H,1-4,6-7,9-11,13,19H2,(H,21,23)
InChIKeyFWIICQPMUFQDRA-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.21
Rot. Bonds4

About 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide

3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119846498) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
PubChem CID119846498
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(N3CCCCCC3)nc2)C1
InChIInChI=1S/C18H28N4O/c19-16-7-6-15(11-16)18(23)21-13-14-5-8-17(20-12-14)22-9-3-1-2-4-10-22/h5,8,12,15-16H,1-4,6-7,9-11,13,19H2,(H,21,23)
InChIKeyFWIICQPMUFQDRA-UHFFFAOYSA-N
XLogP2.21
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119901247
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846500
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
3-amino-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119846574
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2-oxo-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]imidazolidine-4-carboxamide
CID 71877710
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
1-(2,2-dimethylpropanoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51120280
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide (CID 119846498) is 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2ccc(N3CCCCCC3)nc2)C1.
What is the InChIKey of 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is FWIICQPMUFQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c19-16-7-6-15(11-16)18(23)21-13-14-5-8-17(20-12-14)22-9-3-1-2-4-10-22/h5,8,12,15-16H,1-4,6-7,9-11,13,19H2,(H,21,23).
What are the key properties of 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide?
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119846498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).