2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid

C18H21N3O3 — CID 122060653

IUPAC2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid
SMILESCCCC(Nc1ccnc(C(=O)NCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C18H21N3O3/c1-2-6-15(18(23)24)21-14-9-10-19-16(11-14)17(22)20-12-13-7-4-3-5-8-13/h3-5,7-11,15H,2,6,12H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyJCDNYUYQJBUVPJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.68
Rot. Bonds8

About 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid

2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid (PubChem CID 122060653) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid
PubChem CID122060653
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid
SMILESCCCC(Nc1ccnc(C(=O)NCc2ccccc2)c1)C(=O)O
InChIInChI=1S/C18H21N3O3/c1-2-6-15(18(23)24)21-14-9-10-19-16(11-14)17(22)20-12-13-7-4-3-5-8-13/h3-5,7-11,15H,2,6,12H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyJCDNYUYQJBUVPJ-UHFFFAOYSA-N
XLogP2.68
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
(2S)-2-anilinopentanoic acid
CID 22847649
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
N-ethyl-4-(hexan-2-ylamino)pyridine-2-carboxamide
CID 62200054
4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109203453
N-benzyl-4-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
CID 133366514
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid (CID 122060653) is 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid is CCCC(Nc1ccnc(C(=O)NCc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid?
The InChIKey is JCDNYUYQJBUVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-6-15(18(23)24)21-14-9-10-19-16(11-14)17(22)20-12-13-7-4-3-5-8-13/h3-5,7-11,15H,2,6,12H2,1H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid?
2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 122060653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).