3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

C13H19N3O — CID 81404464

IUPAC3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCNC1CC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(11-3-2-7-14-9-11)16-13(17)6-8-15-12-4-5-12/h2-3,7,9-10,12,15H,4-6,8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyPUMNQRGIMCTJFZ-JTQLQIEISA-N
MW233.31 g/mol
LogP1.40
Rot. Bonds6

About 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (PubChem CID 81404464) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
PubChem CID81404464
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCNC1CC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(11-3-2-7-14-9-11)16-13(17)6-8-15-12-4-5-12/h2-3,7,9-10,12,15H,4-6,8H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyPUMNQRGIMCTJFZ-JTQLQIEISA-N
XLogP1.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60979759
N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60866018
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
2-chloro-N-[3-oxo-3-[[(1S)-1-pyridin-3-ylethyl]amino]propyl]benzamide
CID 39959067
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (CID 81404464) is 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is C[C@H](NC(=O)CCNC1CC1)c1cccnc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is PUMNQRGIMCTJFZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-3-2-7-14-9-11)16-13(17)6-8-15-12-4-5-12/h2-3,7,9-10,12,15H,4-6,8H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 233.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 81404464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).