4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

C18H15ClN4O3 — CID 109086668

IUPAC4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2cc(C(=O)NCc3ccccc3Cl)ccn2)no1
InChIInChI=1S/C18H15ClN4O3/c1-11-8-16(23-26-11)22-18(25)15-9-12(6-7-20-15)17(24)21-10-13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyOLSMMKIHGKPWMT-UHFFFAOYSA-N
MW370.80 g/mol
LogP3.21
Rot. Bonds5

About 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109086668) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109086668
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2cc(C(=O)NCc3ccccc3Cl)ccn2)no1
InChIInChI=1S/C18H15ClN4O3/c1-11-8-16(23-26-11)22-18(25)15-9-12(6-7-20-15)17(24)21-10-13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyOLSMMKIHGKPWMT-UHFFFAOYSA-N
XLogP3.21
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085674
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087205
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093173
4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093352
4-N-(3-methoxypropyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109082638
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide (CID 109086668) is 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is Cc1cc(NC(=O)c2cc(C(=O)NCc3ccccc3Cl)ccn2)no1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is OLSMMKIHGKPWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-11-8-16(23-26-11)22-18(25)15-9-12(6-7-20-15)17(24)21-10-13-4-2-3-5-14(13)19/h2-9H,10H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 370.80 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).