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

C22H21ClN4O2 — CID 52949503

IUPAC5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN4O2/c23-20-5-3-16(4-6-20)18-12-19(14-24-13-18)22(28)26-15-17-2-1-7-25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
InChIKeyFNEDVEXAIMFBRN-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.56
Rot. Bonds5

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

5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 52949503) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID52949503
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN4O2/c23-20-5-3-16(4-6-20)18-12-19(14-24-13-18)22(28)26-15-17-2-1-7-25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
InChIKeyFNEDVEXAIMFBRN-UHFFFAOYSA-N
XLogP3.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]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 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 52949503) is 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is O=C(NCc1cccnc1N1CCOCC1)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is FNEDVEXAIMFBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-20-5-3-16(4-6-20)18-12-19(14-24-13-18)22(28)26-15-17-2-1-7-25-21(17)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 52949503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).