4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C12H10ClN3O — CID 43088257

IUPAC4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Cl)ccn1
InChIInChI=1S/C12H10ClN3O/c13-10-3-6-15-11(7-10)12(17)16-8-9-1-4-14-5-2-9/h1-7H,8H2,(H,16,17)
InChIKeyQUPHPRFWOTUKSH-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.06
Rot. Bonds3

About 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 43088257) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID43088257
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Cl)ccn1
InChIInChI=1S/C12H10ClN3O/c13-10-3-6-15-11(7-10)12(17)16-8-9-1-4-14-5-2-9/h1-7H,8H2,(H,16,17)
InChIKeyQUPHPRFWOTUKSH-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
5-[(7-chloroisoquinolin-1-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 135186660
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 43088257) is 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is QUPHPRFWOTUKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-3-6-15-11(7-10)12(17)16-8-9-1-4-14-5-2-9/h1-7H,8H2,(H,16,17).
What are the key properties of 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 43088257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).