2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide

C14H22N4O2 — CID 119860192

IUPAC2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
SMILESCCCC(N)C(=O)NCCC(=O)NCc1cccnc1
InChIInChI=1S/C14H22N4O2/c1-2-4-12(15)14(20)17-8-6-13(19)18-10-11-5-3-7-16-9-11/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyFKEATLXUORIZGY-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.33
Rot. Bonds8

About 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide

2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide (PubChem CID 119860192) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
PubChem CID119860192
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
SMILESCCCC(N)C(=O)NCCC(=O)NCc1cccnc1
InChIInChI=1S/C14H22N4O2/c1-2-4-12(15)14(20)17-8-6-13(19)18-10-11-5-3-7-16-9-11/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyFKEATLXUORIZGY-UHFFFAOYSA-N
XLogP0.33
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
2-amino-N-benzylpentanamide
CID 11020044
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide
CID 51097080
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide?
The IUPAC name of 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide (CID 119860192) is 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide is CCCC(N)C(=O)NCCC(=O)NCc1cccnc1.
What is the InChIKey of 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide?
The InChIKey is FKEATLXUORIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-4-12(15)14(20)17-8-6-13(19)18-10-11-5-3-7-16-9-11/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide?
2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide has a molecular weight of 278.36 g/mol, XLogP of 0.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide is sourced from PubChem (CID 119860192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).