4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide

C16H14ClN3O3 — CID 166401794

IUPAC4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)COC2)ccn1
InChIInChI=1S/C16H14ClN3O3/c17-12-3-1-11(2-4-12)16(8-23-9-16)20-15(22)10-5-6-19-13(7-10)14(18)21/h1-7H,8-9H2,(H2,18,21)(H,20,22)
InChIKeyXRNCPAIRJQRDFC-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.49
Rot. Bonds4

About 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide

4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide (PubChem CID 166401794) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide
PubChem CID166401794
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)COC2)ccn1
InChIInChI=1S/C16H14ClN3O3/c17-12-3-1-11(2-4-12)16(8-23-9-16)20-15(22)10-5-6-19-13(7-10)14(18)21/h1-7H,8-9H2,(H2,18,21)(H,20,22)
InChIKeyXRNCPAIRJQRDFC-UHFFFAOYSA-N
XLogP1.49
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chlorophenyl)oxetan-3-yl]-4-(cyclopropylmethoxy)benzamide
CID 166401808
N-[3-(4-chlorophenyl)oxetan-3-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 166401799
2-N-[1-(4-chlorophenyl)pyrazol-3-yl]pyridine-2,4-dicarboxamide
CID 167891870
N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093
4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide
CID 167088262
N-(2,4-dichlorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082935
2-N-(4-chlorophenyl)-4-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109092888
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
2-(4-chlorobenzoyl)pyridine-4-carbothioamide
CID 5372484
N-[1-(4-chlorophenyl)cyclopropyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 56788161
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide (CID 166401794) is 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide is NC(=O)c1cc(C(=O)NC2(c3ccc(Cl)cc3)COC2)ccn1.
What is the InChIKey of 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide?
The InChIKey is XRNCPAIRJQRDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-12-3-1-11(2-4-12)16(8-23-9-16)20-15(22)10-5-6-19-13(7-10)14(18)21/h1-7H,8-9H2,(H2,18,21)(H,20,22).
What are the key properties of 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide?
4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide has a molecular weight of 331.76 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-chlorophenyl)oxetan-3-yl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 166401794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).