N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide

C10H7ClN4O — CID 140508287

IUPACN-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)c1ccncn1
InChIInChI=1S/C10H7ClN4O/c11-9-5-7(1-4-13-9)15-10(16)8-2-3-12-6-14-8/h1-6H,(H,13,15,16)
InChIKeyQUPFJNXEWVANGY-UHFFFAOYSA-N
MW234.65 g/mol
LogP1.78
Rot. Bonds2

About N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide

N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 140508287) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
PubChem CID140508287
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC NameN-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccnc(Cl)c1)c1ccncn1
InChIInChI=1S/C10H7ClN4O/c11-9-5-7(1-4-13-9)15-10(16)8-2-3-12-6-14-8/h1-6H,(H,13,15,16)
InChIKeyQUPFJNXEWVANGY-UHFFFAOYSA-N
XLogP1.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
2-[(2-chloro-4-pyridinyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429218
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide
CID 137053556
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
5-amino-2,3-dichloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107185676
N-(2-chloro-4-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 114053486
N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide
CID 87293309
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide (CID 140508287) is N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide is O=C(Nc1ccnc(Cl)c1)c1ccncn1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is QUPFJNXEWVANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-9-5-7(1-4-13-9)15-10(16)8-2-3-12-6-14-8/h1-6H,(H,13,15,16).
What are the key properties of N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide?
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 234.65 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 140508287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).