5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide

C15H23N3O2 — CID 844981

IUPAC5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)CC)cn1
InChIInChI=1S/C15H23N3O2/c1-5-10(3)17-14(19)12-7-8-13(16-9-12)15(20)18-11(4)6-2/h7-11H,5-6H2,1-4H3,(H,17,19)(H,18,20)/t10-,11+/m0/s1
InChIKeyZVTROINIZVDMFI-WDEREUQCSA-N
MW277.37 g/mol
LogP2.14
Rot. Bonds6

About 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide

5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide (PubChem CID 844981) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
PubChem CID844981
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
SMILESCC[C@@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)CC)cn1
InChIInChI=1S/C15H23N3O2/c1-5-10(3)17-14(19)12-7-8-13(16-9-12)15(20)18-11(4)6-2/h7-11H,5-6H2,1-4H3,(H,17,19)(H,18,20)/t10-,11+/m0/s1
InChIKeyZVTROINIZVDMFI-WDEREUQCSA-N
XLogP2.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide with MolForge

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Related Compounds

2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-butan-2-yl-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 76951882
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472815
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472987
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide (CID 844981) is 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide is CC[C@@H](C)NC(=O)c1ccc(C(=O)N[C@@H](C)CC)cn1.
What is the InChIKey of 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide?
The InChIKey is ZVTROINIZVDMFI-WDEREUQCSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-10(3)17-14(19)12-7-8-13(16-9-12)15(20)18-11(4)6-2/h7-11H,5-6H2,1-4H3,(H,17,19)(H,18,20)/t10-,11+/m0/s1.
What are the key properties of 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide?
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 844981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).