2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide

C15H14Cl2N2O2 — CID 46398912

IUPAC2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9(2)21-13-4-3-11(8-12(13)16)19-15(20)10-5-6-18-14(17)7-10/h3-9H,1-2H3,(H,19,20)
InChIKeyLVNNTEZVVRCOFZ-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.43
Rot. Bonds4

About 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide

2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 46398912) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID46398912
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9(2)21-13-4-3-11(8-12(13)16)19-15(20)10-5-6-18-14(17)7-10/h3-9H,1-2H3,(H,19,20)
InChIKeyLVNNTEZVVRCOFZ-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 60574786
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
6-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 106551049
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
4-N-(3,4-dichlorophenyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078383
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide (CID 46398912) is 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is LVNNTEZVVRCOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9(2)21-13-4-3-11(8-12(13)16)19-15(20)10-5-6-18-14(17)7-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide?
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 46398912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).