2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

C13H13ClN4O2 — CID 57381198

IUPAC2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1CNc1ncc(C(=O)NO)cn1
InChIInChI=1S/C13H13ClN4O2/c1-8-4-11(14)3-2-9(8)5-15-13-16-6-10(7-17-13)12(19)18-20/h2-4,6-7,20H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyYJTYEOSMPQQLCN-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.17
Rot. Bonds4

About 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57381198) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57381198
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESCc1cc(Cl)ccc1CNc1ncc(C(=O)NO)cn1
InChIInChI=1S/C13H13ClN4O2/c1-8-4-11(14)3-2-9(8)5-15-13-16-6-10(7-17-13)12(19)18-20/h2-4,6-7,20H,5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyYJTYEOSMPQQLCN-UHFFFAOYSA-N
XLogP2.17
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 57381198) is 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is Cc1cc(Cl)ccc1CNc1ncc(C(=O)NO)cn1.
What is the InChIKey of 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is YJTYEOSMPQQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8-4-11(14)3-2-9(8)5-15-13-16-6-10(7-17-13)12(19)18-20/h2-4,6-7,20H,5H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methylphenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57381198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).