4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide

C21H27N5O2 — CID 109208362

IUPAC4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccnc(C(=O)Nc3ccccc3N3CCOCC3)c2)CC1
InChIInChI=1S/C21H27N5O2/c1-24-8-10-25(11-9-24)17-6-7-22-19(16-17)21(27)23-18-4-2-3-5-20(18)26-12-14-28-15-13-26/h2-7,16H,8-15H2,1H3,(H,23,27)
InChIKeyHUQPVOQCIBQWOL-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.92
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide

4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide (PubChem CID 109208362) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
PubChem CID109208362
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccnc(C(=O)Nc3ccccc3N3CCOCC3)c2)CC1
InChIInChI=1S/C21H27N5O2/c1-24-8-10-25(11-9-24)17-6-7-22-19(16-17)21(27)23-18-4-2-3-5-20(18)26-12-14-28-15-13-26/h2-7,16H,8-15H2,1H3,(H,23,27)
InChIKeyHUQPVOQCIBQWOL-UHFFFAOYSA-N
XLogP1.92
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109219045
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
2-N-cyclopropyl-4-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109078752
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109208933
2-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109313668

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide (CID 109208362) is 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide is CN1CCN(c2ccnc(C(=O)Nc3ccccc3N3CCOCC3)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The InChIKey is HUQPVOQCIBQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-24-8-10-25(11-9-24)17-6-7-22-19(16-17)21(27)23-18-4-2-3-5-20(18)26-12-14-28-15-13-26/h2-7,16H,8-15H2,1H3,(H,23,27).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).