2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide

C14H19N5O — CID 95345808

IUPAC2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
SMILESC[C@H](NCC(=O)Nc1cccnc1)[C@@H](C)n1cccn1
InChIInChI=1S/C14H19N5O/c1-11(12(2)19-8-4-7-17-19)16-10-14(20)18-13-5-3-6-15-9-13/h3-9,11-12,16H,10H2,1-2H3,(H,18,20)/t11-,12+/m0/s1
InChIKeyRIWMWGYCDXVZGH-NWDGAFQWSA-N
MW273.34 g/mol
LogP1.46
Rot. Bonds6

About 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide

2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide (PubChem CID 95345808) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
PubChem CID95345808
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
SMILESC[C@H](NCC(=O)Nc1cccnc1)[C@@H](C)n1cccn1
InChIInChI=1S/C14H19N5O/c1-11(12(2)19-8-4-7-17-19)16-10-14(20)18-13-5-3-6-15-9-13/h3-9,11-12,16H,10H2,1-2H3,(H,18,20)/t11-,12+/m0/s1
InChIKeyRIWMWGYCDXVZGH-NWDGAFQWSA-N
XLogP1.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95325251
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 95349347
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 98763965
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
N-[2-(4-fluorophenoxy)ethyl]-2-[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 95759523
N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 95326337
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide (CID 95345808) is 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide is C[C@H](NCC(=O)Nc1cccnc1)[C@@H](C)n1cccn1.
What is the InChIKey of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide?
The InChIKey is RIWMWGYCDXVZGH-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(12(2)19-8-4-7-17-19)16-10-14(20)18-13-5-3-6-15-9-13/h3-9,11-12,16H,10H2,1-2H3,(H,18,20)/t11-,12+/m0/s1.
What are the key properties of 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide?
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 95345808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).