N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide

C14H23N3O — CID 60693847

IUPACN-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
SMILESCCCC(C)NC(=O)CNC(C)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-4-5-11(2)17-14(18)10-16-12(3)13-6-8-15-9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyXSXDWFPWMRGKMR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds7

About N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide

N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide (PubChem CID 60693847) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
PubChem CID60693847
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
SMILESCCCC(C)NC(=O)CNC(C)c1ccncc1
InChIInChI=1S/C14H23N3O/c1-4-5-11(2)17-14(18)10-16-12(3)13-6-8-15-9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyXSXDWFPWMRGKMR-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
2-[1-(4-ethylphenyl)ethylamino]-N-pentan-2-ylacetamide
CID 60693789
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410117
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide?
The IUPAC name of N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide (CID 60693847) is N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide.
What is the SMILES notation for N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide?
The canonical SMILES for N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide is CCCC(C)NC(=O)CNC(C)c1ccncc1.
What is the InChIKey of N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide?
The InChIKey is XSXDWFPWMRGKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-5-11(2)17-14(18)10-16-12(3)13-6-8-15-9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide?
N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide has a molecular weight of 249.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide is sourced from PubChem (CID 60693847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).