4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide

C23H24N4O2 — CID 109219045

IUPAC4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H24N4O2/c1-17-6-2-3-7-19(17)25-18-10-11-24-21(16-18)23(28)26-20-8-4-5-9-22(20)27-12-14-29-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,25)(H,26,28)
InChIKeyBAGRTIYEXJVLGE-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.22
Rot. Bonds5

About 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide

4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide (PubChem CID 109219045) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
PubChem CID109219045
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H24N4O2/c1-17-6-2-3-7-19(17)25-18-10-11-24-21(16-18)23(28)26-20-8-4-5-9-22(20)27-12-14-29-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,25)(H,26,28)
InChIKeyBAGRTIYEXJVLGE-UHFFFAOYSA-N
XLogP4.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide (CID 109219045) is 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide is Cc1ccccc1Nc1ccnc(C(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The InChIKey is BAGRTIYEXJVLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-6-2-3-7-19(17)25-18-10-11-24-21(16-18)23(28)26-20-8-4-5-9-22(20)27-12-14-29-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).