2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

C13H19N3O — CID 81404899

IUPAC2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)CNCC1CC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(12-3-2-6-14-8-12)16-13(17)9-15-7-11-4-5-11/h2-3,6,8,10-11,15H,4-5,7,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyULRVALMTRLIXBJ-JTQLQIEISA-N
MW233.31 g/mol
LogP1.26
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide

2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (PubChem CID 81404899) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
PubChem CID81404899
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](NC(=O)CNCC1CC1)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(12-3-2-6-14-8-12)16-13(17)9-15-7-11-4-5-11/h2-3,6,8,10-11,15H,4-5,7,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyULRVALMTRLIXBJ-JTQLQIEISA-N
XLogP1.26
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 ≤ 51.26
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
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide (CID 81404899) is 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is C[C@H](NC(=O)CNCC1CC1)c1cccnc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is ULRVALMTRLIXBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(12-3-2-6-14-8-12)16-13(17)9-15-7-11-4-5-11/h2-3,6,8,10-11,15H,4-5,7,9H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide?
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 81404899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).