2-cyano-N-propan-2-ylpyridine-4-carboxamide

C10H11N3O — CID 112520008

IUPAC2-cyano-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C10H11N3O/c1-7(2)13-10(14)8-3-4-12-9(5-8)6-11/h3-5,7H,1-2H3,(H,13,14)
InChIKeyCYOIGRRMZPBMKZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.09
Rot. Bonds2

About 2-cyano-N-propan-2-ylpyridine-4-carboxamide

2-cyano-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 112520008) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-cyano-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-propan-2-ylpyridine-4-carboxamide
PubChem CID112520008
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-cyano-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C10H11N3O/c1-7(2)13-10(14)8-3-4-12-9(5-8)6-11/h3-5,7H,1-2H3,(H,13,14)
InChIKeyCYOIGRRMZPBMKZ-UHFFFAOYSA-N
XLogP1.09
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
2-cyano-N-cyclohexylpyridine-4-carboxamide
CID 90349653
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941
methyl 4-[(2-cyanopyridine-4-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 166405193
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
2,2-dimethylpropanoyl 2-cyanopyridine-4-carboxylate
CID 163217228
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
CID 115115865
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-propan-2-ylpyridine-4-carboxamide (CID 112520008) is 2-cyano-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-propan-2-ylpyridine-4-carboxamide is CC(C)NC(=O)c1ccnc(C#N)c1.
What is the InChIKey of 2-cyano-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is CYOIGRRMZPBMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(2)13-10(14)8-3-4-12-9(5-8)6-11/h3-5,7H,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-propan-2-ylpyridine-4-carboxamide?
2-cyano-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 112520008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).