5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

C20H18ClN3O2 — CID 52945890

IUPAC5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-20-15(4-3-9-23-20)13-24-19(25)17-10-16(11-22-12-17)14-5-7-18(21)8-6-14/h3-12H,2,13H2,1H3,(H,24,25)
InChIKeyCQIXHVVDGNOBRL-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.13
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 52945890) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID52945890
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClN3O2/c1-2-26-20-15(4-3-9-23-20)13-24-19(25)17-10-16(11-22-12-17)14-5-7-18(21)8-6-14/h3-12H,2,13H2,1H3,(H,24,25)
InChIKeyCQIXHVVDGNOBRL-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 52945890) is 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is CCOc1ncccc1CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is CQIXHVVDGNOBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-2-26-20-15(4-3-9-23-20)13-24-19(25)17-10-16(11-22-12-17)14-5-7-18(21)8-6-14/h3-12H,2,13H2,1H3,(H,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 52945890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).