3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide

C13H19N3O — CID 81407435

IUPAC3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(N)C1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-9(12-4-2-3-7-15-12)16-13(17)10-5-6-11(14)8-10/h2-4,7,9-11H,5-6,8,14H2,1H3,(H,16,17)/t9-,10?,11?/m0/s1
InChIKeyYUSVQIJFXYNTOD-WHXUTIOJSA-N
MW233.31 g/mol
LogP1.39
Rot. Bonds3

About 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide

3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide (PubChem CID 81407435) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
PubChem CID81407435
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(N)C1)c1ccccn1
InChIInChI=1S/C13H19N3O/c1-9(12-4-2-3-7-15-12)16-13(17)10-5-6-11(14)8-10/h2-4,7,9-11H,5-6,8,14H2,1H3,(H,16,17)/t9-,10?,11?/m0/s1
InChIKeyYUSVQIJFXYNTOD-WHXUTIOJSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830321
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 42905815
2-amino-N-[(1R)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407618
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
(3R)-1,1-dioxo-N-[(1S)-1-pyridin-2-ylethyl]thiolane-3-carboxamide
CID 39996283
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-(1-pyridin-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43529021

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide (CID 81407435) is 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide is C[C@H](NC(=O)C1CCC(N)C1)c1ccccn1.
What is the InChIKey of 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide?
The InChIKey is YUSVQIJFXYNTOD-WHXUTIOJSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(12-4-2-3-7-15-12)16-13(17)10-5-6-11(14)8-10/h2-4,7,9-11H,5-6,8,14H2,1H3,(H,16,17)/t9-,10?,11?/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide?
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81407435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).