3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide

C13H17ClN2O — CID 66482927

IUPAC3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H17ClN2O/c1-2-7-16(9-10-3-4-10)13(17)11-5-6-15-8-12(11)14/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyOTCVJHFMJXBIIB-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide

3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide (PubChem CID 66482927) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
PubChem CID66482927
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H17ClN2O/c1-2-7-16(9-10-3-4-10)13(17)11-5-6-15-8-12(11)14/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyOTCVJHFMJXBIIB-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105070225

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide (CID 66482927) is 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide is CCCN(CC1CC1)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
The InChIKey is OTCVJHFMJXBIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-7-16(9-10-3-4-10)13(17)11-5-6-15-8-12(11)14/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide?
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 66482927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).