2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide

C13H14ClN5O2 — CID 107603438

IUPAC2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2nc(C)cc(OC)n2)cc(Cl)n1
InChIInChI=1S/C13H14ClN5O2/c1-7-4-11(21-3)18-13(16-7)19-12(20)8-5-9(14)17-10(6-8)15-2/h4-6H,1-3H3,(H,15,17)(H,16,18,19,20)
InChIKeyLFEMGGQIUNWZHW-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.14
Rot. Bonds4

About 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 107603438) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID107603438
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2nc(C)cc(OC)n2)cc(Cl)n1
InChIInChI=1S/C13H14ClN5O2/c1-7-4-11(21-3)18-13(16-7)19-12(20)8-5-9(14)17-10(6-8)15-2/h4-6H,1-3H3,(H,15,17)(H,16,18,19,20)
InChIKeyLFEMGGQIUNWZHW-UHFFFAOYSA-N
XLogP2.14
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
6-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridazine-3-carboxamide
CID 107605634
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 62186084
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
CID 114053555
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 78954355
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide (CID 107603438) is 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2nc(C)cc(OC)n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is LFEMGGQIUNWZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-7-4-11(21-3)18-13(16-7)19-12(20)8-5-9(14)17-10(6-8)15-2/h4-6H,1-3H3,(H,15,17)(H,16,18,19,20).
What are the key properties of 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 107603438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).