4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide

C12H15ClN2O — CID 43270432

IUPAC4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C12H15ClN2O/c1-2-7-15(10-3-4-10)12(16)11-8-9(13)5-6-14-11/h5-6,8,10H,2-4,7H2,1H3
InChIKeyQKCDRHZGHAAREN-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide

4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide (PubChem CID 43270432) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
PubChem CID43270432
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1cc(Cl)ccn1)C1CC1
InChIInChI=1S/C12H15ClN2O/c1-2-7-15(10-3-4-10)12(16)11-8-9(13)5-6-14-11/h5-6,8,10H,2-4,7H2,1H3
InChIKeyQKCDRHZGHAAREN-UHFFFAOYSA-N
XLogP2.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 102861506
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
CID 60737654
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62186526
N-cyclopropyl-2,3-difluoro-N-propylpyridine-4-carboxamide
CID 105380347
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 119825107
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
4-chloro-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965080

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide (CID 43270432) is 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1cc(Cl)ccn1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide?
The InChIKey is QKCDRHZGHAAREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-7-15(10-3-4-10)12(16)11-8-9(13)5-6-14-11/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide?
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 43270432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).