2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

C12H11ClN4O2 — CID 57380747

IUPAC2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C12H11ClN4O2/c13-10-4-2-1-3-8(10)5-14-12-15-6-9(7-16-12)11(18)17-19/h1-4,6-7,19H,5H2,(H,17,18)(H,14,15,16)
InChIKeyXJSQASSZUCVTLN-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.86
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57380747) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57380747
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C12H11ClN4O2/c13-10-4-2-1-3-8(10)5-14-12-15-6-9(7-16-12)11(18)17-19/h1-4,6-7,19H,5H2,(H,17,18)(H,14,15,16)
InChIKeyXJSQASSZUCVTLN-UHFFFAOYSA-N
XLogP1.86
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57381421
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109257489
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257493
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109156789

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 57380747) is 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NCc2ccccc2Cl)nc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is XJSQASSZUCVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-10-4-2-1-3-8(10)5-14-12-15-6-9(7-16-12)11(18)17-19/h1-4,6-7,19H,5H2,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57380747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).