N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide

C20H18ClN3O2 — CID 139521847

IUPACN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1
InChIInChI=1S/C20H18ClN3O2/c1-26-13-18-7-6-16(12-22-18)20(25)24-19-8-5-15(11-23-19)9-14-3-2-4-17(21)10-14/h2-8,10-12H,9,13H2,1H3,(H,23,24,25)
InChIKeySPSQHUWSAQSICH-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.12
Rot. Bonds6

About N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide (PubChem CID 139521847) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide
PubChem CID139521847
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1
InChIInChI=1S/C20H18ClN3O2/c1-26-13-18-7-6-16(12-22-18)20(25)24-19-8-5-15(11-23-19)9-14-3-2-4-17(21)10-14/h2-8,10-12H,9,13H2,1H3,(H,23,24,25)
InChIKeySPSQHUWSAQSICH-UHFFFAOYSA-N
XLogP4.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide (CID 139521847) is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide is COCc1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)cn1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The InChIKey is SPSQHUWSAQSICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-13-18-7-6-16(12-22-18)20(25)24-19-8-5-15(11-23-19)9-14-3-2-4-17(21)10-14/h2-8,10-12H,9,13H2,1H3,(H,23,24,25).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-6-(methoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139521847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).