N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide

C17H26N4O3 — CID 70364739

IUPACN-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NC(=O)c1ccccn1
InChIInChI=1S/C17H26N4O3/c1-5-11(4)14(20-16(23)13(18)10(2)3)17(24)21-15(22)12-8-6-7-9-19-12/h6-11,13-14H,5,18H2,1-4H3,(H,20,23)(H,21,22,24)/t11-,13-,14-/m0/s1
InChIKeyCOBREFAAFDNCDK-UBHSHLNASA-N
MW334.42 g/mol
LogP0.85
Rot. Bonds7

About N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide

N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide (PubChem CID 70364739) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide
PubChem CID70364739
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NC(=O)c1ccccn1
InChIInChI=1S/C17H26N4O3/c1-5-11(4)14(20-16(23)13(18)10(2)3)17(24)21-15(22)12-8-6-7-9-19-12/h6-11,13-14H,5,18H2,1-4H3,(H,20,23)(H,21,22,24)/t11-,13-,14-/m0/s1
InChIKeyCOBREFAAFDNCDK-UBHSHLNASA-N
XLogP0.85
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide with MolForge

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Related Compounds

(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
N-[(2S,3S)-3-methyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]pentan-2-yl]benzamide
CID 9033179
N-[(2S)-2-amino-3-hydroxypropanoyl]pyridine-2-carboxamide
CID 54423977
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 18232398
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 71352383
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 18232401
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide (CID 70364739) is N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide is CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NC(=O)c1ccccn1.
What is the InChIKey of N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide?
The InChIKey is COBREFAAFDNCDK-UBHSHLNASA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-11(4)14(20-16(23)13(18)10(2)3)17(24)21-15(22)12-8-6-7-9-19-12/h6-11,13-14H,5,18H2,1-4H3,(H,20,23)(H,21,22,24)/t11-,13-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide?
N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]pyridine-2-carboxamide is sourced from PubChem (CID 70364739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).