2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide

C17H13ClN4O2 — CID 48667099

IUPAC2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H13ClN4O2/c1-11-9-13(24-17-20-6-2-7-21-17)3-4-14(11)22-16(23)12-5-8-19-15(18)10-12/h2-10H,1H3,(H,22,23)
InChIKeyMRJDOLRUJKNBIX-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.88
Rot. Bonds4

About 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide

2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 48667099) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID48667099
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C17H13ClN4O2/c1-11-9-13(24-17-20-6-2-7-21-17)3-4-14(11)22-16(23)12-5-8-19-15(18)10-12/h2-10H,1H3,(H,22,23)
InChIKeyMRJDOLRUJKNBIX-UHFFFAOYSA-N
XLogP3.88
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)-2-oxoethoxy]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48667487
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48666981
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
CID 71934170
N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
3-chloro-6-fluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-1-benzothiophene-2-carboxamide
CID 48666618
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
2-amino-6-chloro-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 62872287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide (CID 48667099) is 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is MRJDOLRUJKNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-11-9-13(24-17-20-6-2-7-21-17)3-4-14(11)22-16(23)12-5-8-19-15(18)10-12/h2-10H,1H3,(H,22,23).
What are the key properties of 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide?
2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 48667099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).