3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide

C13H16ClN5O — CID 62178273

IUPAC3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H16ClN5O/c1-9(7-19-6-5-16-8-19)17-13(20)12-10(14)3-4-11(15-2)18-12/h3-6,8-9H,7H2,1-2H3,(H,15,18)(H,17,20)
InChIKeyOCFMRXMGVMZSAD-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.79
Rot. Bonds5

About 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 62178273) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID62178273
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H16ClN5O/c1-9(7-19-6-5-16-8-19)17-13(20)12-10(14)3-4-11(15-2)18-12/h3-6,8-9H,7H2,1-2H3,(H,15,18)(H,17,20)
InChIKeyOCFMRXMGVMZSAD-UHFFFAOYSA-N
XLogP1.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113473020
3-amino-4-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 43695461
3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
CID 55047188
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195
3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 105385748
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63213990
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
CID 47187642

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide (CID 62178273) is 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NC(C)Cn2ccnc2)n1.
What is the InChIKey of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is OCFMRXMGVMZSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9(7-19-6-5-16-8-19)17-13(20)12-10(14)3-4-11(15-2)18-12/h3-6,8-9H,7H2,1-2H3,(H,15,18)(H,17,20).
What are the key properties of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62178273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).