2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide

C17H14ClN5O — CID 11674510

IUPAC2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H14ClN5O/c18-11-16(24)21-12-4-3-5-13(10-12)22-17-20-9-7-15(23-17)14-6-1-2-8-19-14/h1-10H,11H2,(H,21,24)(H,20,22,23)
InChIKeyZJYCQPHCCKONPK-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.46
Rot. Bonds5

About 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 11674510) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID11674510
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H14ClN5O/c18-11-16(24)21-12-4-3-5-13(10-12)22-17-20-9-7-15(23-17)14-6-1-2-8-19-14/h1-10H,11H2,(H,21,24)(H,20,22,23)
InChIKeyZJYCQPHCCKONPK-UHFFFAOYSA-N
XLogP3.46
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190714
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
CID 73345816
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
4-bromo-N-[4-methyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 69234694
N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 24989038
2-pyridin-2-yl-N-(4-pyridin-2-ylpyrimidin-2-yl)-3H-benzimidazol-5-amine
CID 71233783
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71233786
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-dimethylphosphoryl-N-[3-[(4-ethylpyrimidin-2-yl)amino]phenyl]acetamide
CID 20772056
(4-methylpiperazin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1,3-dihydroisoindol-2-yl]methanone
CID 71233773
1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one
CID 153235210

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 11674510) is 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide is O=C(CCl)Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is ZJYCQPHCCKONPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-11-16(24)21-12-4-3-5-13(10-12)22-17-20-9-7-15(23-17)14-6-1-2-8-19-14/h1-10H,11H2,(H,21,24)(H,20,22,23).
What are the key properties of 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide?
2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 339.79 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 11674510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).