2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide

C11H17N3O2 — CID 115643931

IUPAC2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(CO)C(C)Nc1ncccc1C(N)=O
InChIInChI=1S/C11H17N3O2/c1-7(6-15)8(2)14-11-9(10(12)16)4-3-5-13-11/h3-5,7-8,15H,6H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeySXJMJESMHVCFBB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.61
Rot. Bonds5

About 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide

2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 115643931) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
PubChem CID115643931
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(CO)C(C)Nc1ncccc1C(N)=O
InChIInChI=1S/C11H17N3O2/c1-7(6-15)8(2)14-11-9(10(12)16)4-3-5-13-11/h3-5,7-8,15H,6H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeySXJMJESMHVCFBB-UHFFFAOYSA-N
XLogP0.61
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
CID 106357820
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
2-[1-(4-methylphenoxy)propan-2-ylamino]pyridine-3-carboxamide
CID 61166764
2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62109131
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
methyl 2-[(3-carbamothioyl-2-pyridinyl)amino]propanoate
CID 61497791
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
CID 115644022

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide (CID 115643931) is 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide is CC(CO)C(C)Nc1ncccc1C(N)=O.
What is the InChIKey of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is SXJMJESMHVCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(6-15)8(2)14-11-9(10(12)16)4-3-5-13-11/h3-5,7-8,15H,6H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide?
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 115643931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).