4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid

C16H15Cl2N3O3 — CID 159725627

IUPAC4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid
SMILESO=C(NCC1CC1)c1cc(Cl)ccn1.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O.C6H4ClNO2/c11-8-3-4-12-9(5-8)10(14)13-6-7-1-2-7;7-4-1-2-8-5(3-4)6(9)10/h3-5,7H,1-2,6H2,(H,13,14);1-3H,(H,9,10)
InChIKeyNAPCHHQEBRKLHO-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.31
Rot. Bonds4

About 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid

4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid (PubChem CID 159725627) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid
PubChem CID159725627
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid
SMILESO=C(NCC1CC1)c1cc(Cl)ccn1.O=C(O)c1cc(Cl)ccn1
InChIInChI=1S/C10H11ClN2O.C6H4ClNO2/c11-8-3-4-12-9(5-8)10(14)13-6-7-1-2-7;7-4-1-2-8-5(3-4)6(9)10/h3-5,7H,1-2,6H2,(H,13,14);1-3H,(H,9,10)
InChIKeyNAPCHHQEBRKLHO-UHFFFAOYSA-N
XLogP3.31
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloropyridine-2-carboxylic acid
CID 230890
3-Benzamido-5-chloropyridine-2-carboxylic acid
CID 162676309
(2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid
CID 78972837
2-((4-Chloropyridin-2-yl)formamido)acetic acid
CID 4962393
4-(3-Oxopiperazin-1-yl)pyridine-2-carboxylic acid hydrochloride
CID 75493352
4-Chloropicolinic Acid Hydrochloride
CID 67119944
6-(Pyridin-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558281
4-(3-Oxopiperazin-1-yl)pyridine-2-carboxylic acid
CID 43143064
5-[[(5-Chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091316
5-[[(2-Chloro-6-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091399
5-[[(2-Chloro-4-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091938
5-[[(4-Chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid (CID 159725627) is 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid is O=C(NCC1CC1)c1cc(Cl)ccn1.O=C(O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid?
The InChIKey is NAPCHHQEBRKLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O.C6H4ClNO2/c11-8-3-4-12-9(5-8)10(14)13-6-7-1-2-7;7-4-1-2-8-5(3-4)6(9)10/h3-5,7H,1-2,6H2,(H,13,14);1-3H,(H,9,10).
What are the key properties of 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid?
4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid has a molecular weight of 368.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)pyridine-2-carboxamide;4-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 159725627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).