(2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid

C17H20N4O3 — CID 101231811

IUPAC(2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid
SMILESCc1ccnc(-c2cc(C(=O)NCCC[C@H](N)C(=O)O)ccn2)c1
InChIInChI=1S/C17H20N4O3/c1-11-4-7-19-14(9-11)15-10-12(5-8-20-15)16(22)21-6-2-3-13(18)17(23)24/h4-5,7-10,13H,2-3,6,18H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyBIKQRKFAIPLGGO-ZDUSSCGKSA-N
MW328.37 g/mol
LogP1.37
Rot. Bonds7

About (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid

(2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid (PubChem CID 101231811) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid
PubChem CID101231811
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid
SMILESCc1ccnc(-c2cc(C(=O)NCCC[C@H](N)C(=O)O)ccn2)c1
InChIInChI=1S/C17H20N4O3/c1-11-4-7-19-14(9-11)15-10-12(5-8-20-15)16(22)21-6-2-3-13(18)17(23)24/h4-5,7-10,13H,2-3,6,18H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1
InChIKeyBIKQRKFAIPLGGO-ZDUSSCGKSA-N
XLogP1.37
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(3-acetylbenzoyl)amino]-2-aminohexanoic acid
CID 76799570
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid
CID 101231812
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 23251114
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
N-(4-aminopentyl)quinoxaline-6-carboxamide
CID 106122838
2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide
CID 101361615
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
5-[(3-amino-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 112547774
2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid (CID 101231811) is (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid is Cc1ccnc(-c2cc(C(=O)NCCC[C@H](N)C(=O)O)ccn2)c1.
What is the InChIKey of (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid?
The InChIKey is BIKQRKFAIPLGGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-4-7-19-14(9-11)15-10-12(5-8-20-15)16(22)21-6-2-3-13(18)17(23)24/h4-5,7-10,13H,2-3,6,18H2,1H3,(H,21,22)(H,23,24)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid?
(2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid has a molecular weight of 328.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[2-(4-methyl-2-pyridinyl)pyridine-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 101231811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).