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

C14H17N3O — CID 103762122

IUPAC5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCCCC1(CNC(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N3O/c1-2-5-14(6-7-14)10-17-13(18)12-4-3-11(8-15)9-16-12/h3-4,9H,2,5-7,10H2,1H3,(H,17,18)
InChIKeyCRJWWSZKVWTMJL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds5

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

5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide (PubChem CID 103762122) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide
PubChem CID103762122
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCCCC1(CNC(=O)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H17N3O/c1-2-5-14(6-7-14)10-17-13(18)12-4-3-11(8-15)9-16-12/h3-4,9H,2,5-7,10H2,1H3,(H,17,18)
InChIKeyCRJWWSZKVWTMJL-UHFFFAOYSA-N
XLogP2.26
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-2-carboxamide
CID 103742429
5-cyano-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 113362666
5-cyano-N-[(2-methylthiolan-2-yl)methyl]pyridine-2-carboxamide
CID 80528714
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide (CID 103762122) is 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide is CCCC1(CNC(=O)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide?
The InChIKey is CRJWWSZKVWTMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-5-14(6-7-14)10-17-13(18)12-4-3-11(8-15)9-16-12/h3-4,9H,2,5-7,10H2,1H3,(H,17,18).
What are the key properties of 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide?
5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(1-propylcyclopropyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103762122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).