4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide

C13H10Cl2N2O — CID 9401789

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)ccn1
InChIInChI=1S/C13H10Cl2N2O/c14-10-3-1-2-9(6-10)8-17-13(18)12-7-11(15)4-5-16-12/h1-7H,8H2,(H,17,18)
InChIKeyDXEKRAWYBRXCQE-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide

4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 9401789) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
PubChem CID9401789
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc(Cl)ccn1
InChIInChI=1S/C13H10Cl2N2O/c14-10-3-1-2-9(6-10)8-17-13(18)12-7-11(15)4-5-16-12/h1-7H,8H2,(H,17,18)
InChIKeyDXEKRAWYBRXCQE-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 9183391
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide (CID 9401789) is 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DXEKRAWYBRXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-3-1-2-9(6-10)8-17-13(18)12-7-11(15)4-5-16-12/h1-7H,8H2,(H,17,18).
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide?
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 281.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 9401789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).