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

C16H17ClN2O2 — CID 110782158

IUPACN-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(2)21-15-4-3-12(9-14(15)17)10-19-16(20)13-5-7-18-8-6-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyXYLSUECOBDCCNH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.45
Rot. Bonds5

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

N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 110782158) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID110782158
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(2)21-15-4-3-12(9-14(15)17)10-19-16(20)13-5-7-18-8-6-13/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyXYLSUECOBDCCNH-UHFFFAOYSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110794021
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 110762427
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
3-chloro-4-propan-2-yloxy-N-(pyridin-4-ylmethyl)aniline
CID 43727132
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055227

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide (CID 110782158) is N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide is CC(C)Oc1ccc(CNC(=O)c2ccncc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is XYLSUECOBDCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(2)21-15-4-3-12(9-14(15)17)10-19-16(20)13-5-7-18-8-6-13/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide?
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 110782158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).