5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide

C16H13ClN4O2 — CID 166397540

IUPAC5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C16H13ClN4O2/c1-21-8-7-15(20-21)19-16(22)14-6-5-13(10-18-14)23-12-4-2-3-11(17)9-12/h2-10H,1H3,(H,19,20,22)
InChIKeyVWEWSHAEKSMAOD-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.51
Rot. Bonds4

About 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide

5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 166397540) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID166397540
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C16H13ClN4O2/c1-21-8-7-15(20-21)19-16(22)14-6-5-13(10-18-14)23-12-4-2-3-11(17)9-12/h2-10H,1H3,(H,19,20,22)
InChIKeyVWEWSHAEKSMAOD-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
CID 7614445
N-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521731
5-(methylamino)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104640352
3-[5-(N'-hydroxycarbamimidoyl)pyrazin-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 137172773
5-(3-methylphenoxy)-N-[(1R,2R)-2-(1-methylpyrazol-3-yl)cyclopropyl]pyridine-2-carboxamide
CID 167774657
5-(aminomethyl)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 63722688
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521777
5-[[2,2-dimethyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N-methylpyridine-2-carboxamide
CID 59559901
5-hydrazinyl-N-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 107377514
5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 98291143
N-(1-methylpyrazol-3-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]benzamide
CID 66764925
6-chloro-2-methyl-N-(1-methylpyrazol-3-yl)pyrimidine-4-carboxamide
CID 75538764

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide (CID 166397540) is 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide is Cn1ccc(NC(=O)c2ccc(Oc3cccc(Cl)c3)cn2)n1.
What is the InChIKey of 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is VWEWSHAEKSMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-21-8-7-15(20-21)19-16(22)14-6-5-13(10-18-14)23-12-4-2-3-11(17)9-12/h2-10H,1H3,(H,19,20,22).
What are the key properties of 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide?
5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 166397540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).