4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid

C17H27N5O4 — CID 142411601

IUPAC4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)NC(C)(C)CC(=O)Nc1cncc(C(=O)O)c1N
InChIInChI=1S/C17H27N5O4/c1-9(2)5-11(18)15(24)22-17(3,4)6-13(23)21-12-8-20-7-10(14(12)19)16(25)26/h7-9,11H,5-6,18H2,1-4H3,(H2,19,20)(H,21,23)(H,22,24)(H,25,26)/t11-/m0/s1
InChIKeySODUCVVADCYSCK-NSHDSACASA-N
MW365.43 g/mol
LogP0.96
Rot. Bonds8

About 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid

4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid (PubChem CID 142411601) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid
PubChem CID142411601
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC Name4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)NC(C)(C)CC(=O)Nc1cncc(C(=O)O)c1N
InChIInChI=1S/C17H27N5O4/c1-9(2)5-11(18)15(24)22-17(3,4)6-13(23)21-12-8-20-7-10(14(12)19)16(25)26/h7-9,11H,5-6,18H2,1-4H3,(H2,19,20)(H,21,23)(H,22,24)(H,25,26)/t11-/m0/s1
InChIKeySODUCVVADCYSCK-NSHDSACASA-N
XLogP0.96
TPSA160.43 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid (CID 142411601) is 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid is CC(C)C[C@H](N)C(=O)NC(C)(C)CC(=O)Nc1cncc(C(=O)O)c1N.
What is the InChIKey of 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is SODUCVVADCYSCK-NSHDSACASA-N. The full InChI is InChI=1S/C17H27N5O4/c1-9(2)5-11(18)15(24)22-17(3,4)6-13(23)21-12-8-20-7-10(14(12)19)16(25)26/h7-9,11H,5-6,18H2,1-4H3,(H2,19,20)(H,21,23)(H,22,24)(H,25,26)/t11-/m0/s1.
What are the key properties of 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid?
4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 0.96, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 142411601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).