N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C21H22N6O — CID 109238727

IUPACN-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)c1
InChIInChI=1S/C21H22N6O/c1-16-4-2-5-18(12-16)25-20(28)17-13-19(15-22-14-17)26-8-10-27(11-9-26)21-23-6-3-7-24-21/h2-7,12-15H,8-11H2,1H3,(H,25,28)
InChIKeyHGWAQVKXLPHPLP-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.76
Rot. Bonds4

About N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109238727) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109238727
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)c1
InChIInChI=1S/C21H22N6O/c1-16-4-2-5-18(12-16)25-20(28)17-13-19(15-22-14-17)26-8-10-27(11-9-26)21-23-6-3-7-24-21/h2-7,12-15H,8-11H2,1H3,(H,25,28)
InChIKeyHGWAQVKXLPHPLP-UHFFFAOYSA-N
XLogP2.76
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
N-butan-2-yl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109225181
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984675
methyl 3-[[5-(4-acetylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109231260
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139237

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 109238727) is N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(N3CCN(c4ncccn4)CC3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is HGWAQVKXLPHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-16-4-2-5-18(12-16)25-20(28)17-13-19(15-22-14-17)26-8-10-27(11-9-26)21-23-6-3-7-24-21/h2-7,12-15H,8-11H2,1H3,(H,25,28).
What are the key properties of N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109238727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).