2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

C13H19N3O2 — CID 64824935

IUPAC2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCCC1N
InChIInChI=1S/C13H19N3O2/c1-18-13-9(4-3-7-15-13)8-16-12(17)10-5-2-6-11(10)14/h3-4,7,10-11H,2,5-6,8,14H2,1H3,(H,16,17)
InChIKeyKYMJSQHJMUFUKL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.83
Rot. Bonds4

About 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (PubChem CID 64824935) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
PubChem CID64824935
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCCC1N
InChIInChI=1S/C13H19N3O2/c1-18-13-9(4-3-7-15-13)8-16-12(17)10-5-2-6-11(10)14/h3-4,7,10-11H,2,5-6,8,14H2,1H3,(H,16,17)
InChIKeyKYMJSQHJMUFUKL-UHFFFAOYSA-N
XLogP0.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47160065
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005917
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 37485077
(2R,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 37485075
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 37485074
trans-(1S,2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96999756

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (CID 64824935) is 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is COc1ncccc1CNC(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is KYMJSQHJMUFUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13-9(4-3-7-15-13)8-16-12(17)10-5-2-6-11(10)14/h3-4,7,10-11H,2,5-6,8,14H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64824935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).