N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

C17H13ClN4O — CID 91634104

IUPACN-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H13ClN4O/c18-15-3-1-2-12(6-15)7-22-17(23)13-4-5-16(21-10-13)14-8-19-11-20-9-14/h1-6,8-11H,7H2,(H,22,23)
InChIKeyRVTIDNQOWTVZCG-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.12
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 91634104) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID91634104
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC NameN-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(-c2cncnc2)nc1
InChIInChI=1S/C17H13ClN4O/c18-15-3-1-2-12(6-15)7-22-17(23)13-4-5-16(21-10-13)14-8-19-11-20-9-14/h1-6,8-11H,7H2,(H,22,23)
InChIKeyRVTIDNQOWTVZCG-UHFFFAOYSA-N
XLogP3.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71841602
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
CID 110714398
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
5-(3-acetamidophenyl)-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 50846337
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide (CID 91634104) is N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc(-c2cncnc2)nc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is RVTIDNQOWTVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-15-3-1-2-12(6-15)7-22-17(23)13-4-5-16(21-10-13)14-8-19-11-20-9-14/h1-6,8-11H,7H2,(H,22,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 91634104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).