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

C24H25ClN4O2 — CID 155535990

IUPAC2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(N3CCOCC3)ccnc2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H25ClN4O2/c1-16(2)20-8-7-19(15-27-20)28-24(30)22-21(29-11-13-31-14-12-29)9-10-26-23(22)17-3-5-18(25)6-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,28,30)
InChIKeyZMFIAOPFUYDBIL-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.01
Rot. Bonds5

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

2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 155535990) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID155535990
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(N3CCOCC3)ccnc2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H25ClN4O2/c1-16(2)20-8-7-19(15-27-20)28-24(30)22-21(29-11-13-31-14-12-29)9-10-26-23(22)17-3-5-18(25)6-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,28,30)
InChIKeyZMFIAOPFUYDBIL-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide (CID 155535990) is 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2c(N3CCOCC3)ccnc2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is ZMFIAOPFUYDBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-16(2)20-8-7-19(15-27-20)28-24(30)22-21(29-11-13-31-14-12-29)9-10-26-23(22)17-3-5-18(25)6-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
2-(4-chlorophenyl)-4-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 2-(4-chlorophenyl)-4-morpholin-4-yl-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 155535990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).