5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide

C14H17N3O — CID 103742429

IUPAC5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCC(C)C1(CNC(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N3O/c1-10(2)14(5-6-14)9-17-13(18)12-4-3-11(7-15)8-16-12/h3-4,8,10H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyZBCYBTCTHWIQBN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.12
Rot. Bonds4

About 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide

5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide (PubChem CID 103742429) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
PubChem CID103742429
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCC(C)C1(CNC(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N3O/c1-10(2)14(5-6-14)9-17-13(18)12-4-3-11(7-15)8-16-12/h3-4,8,10H,5-6,9H2,1-2H3,(H,17,18)
InChIKeyZBCYBTCTHWIQBN-UHFFFAOYSA-N
XLogP2.12
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103762122
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
5-cyano-N-[(2-methylthiolan-2-yl)methyl]pyridine-2-carboxamide
CID 80528714
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 113362666
2-(4-cyanophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]acetamide
CID 103742388
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 82016813

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide (CID 103742429) is 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide is CC(C)C1(CNC(=O)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZBCYBTCTHWIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)14(5-6-14)9-17-13(18)12-4-3-11(7-15)8-16-12/h3-4,8,10H,5-6,9H2,1-2H3,(H,17,18).
What are the key properties of 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide?
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103742429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).