4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide

C24H25ClN4O2 — CID 155546153

IUPAC4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)ccnc2N2CCOCC2)cn1
InChIInChI=1S/C24H25ClN4O2/c1-16(2)21-8-7-19(15-27-21)28-24(30)22-20(17-3-5-18(25)6-4-17)9-10-26-23(22)29-11-13-31-14-12-29/h3-10,15-16H,11-14H2,1-2H3,(H,28,30)
InChIKeyQYVRMLANHBHIIJ-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.01
Rot. Bonds5

About 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide

4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 155546153) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID155546153
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)ccnc2N2CCOCC2)cn1
InChIInChI=1S/C24H25ClN4O2/c1-16(2)21-8-7-19(15-27-21)28-24(30)22-20(17-3-5-18(25)6-4-17)9-10-26-23(22)29-11-13-31-14-12-29/h3-10,15-16H,11-14H2,1-2H3,(H,28,30)
InChIKeyQYVRMLANHBHIIJ-UHFFFAOYSA-N
XLogP5.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)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 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide (CID 155546153) is 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)ccnc2N2CCOCC2)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is QYVRMLANHBHIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-16(2)21-8-7-19(15-27-21)28-24(30)22-20(17-3-5-18(25)6-4-17)9-10-26-23(22)29-11-13-31-14-12-29/h3-10,15-16H,11-14H2,1-2H3,(H,28,30).
What are the key properties of 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 155546153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).