N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

C22H24N6O — CID 109170232

IUPACN-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C22H24N6O/c1-26(17-18-6-3-2-4-7-18)21(29)19-8-11-23-20(16-19)27-12-14-28(15-13-27)22-24-9-5-10-25-22/h2-11,16H,12-15,17H2,1H3
InChIKeyKXJHJZBMGCKPIC-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.47
Rot. Bonds5

About N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109170232) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109170232
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C22H24N6O/c1-26(17-18-6-3-2-4-7-18)21(29)19-8-11-23-20(16-19)27-12-14-28(15-13-27)22-24-9-5-10-25-22/h2-11,16H,12-15,17H2,1H3
InChIKeyKXJHJZBMGCKPIC-UHFFFAOYSA-N
XLogP2.47
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
CID 109169122
N-benzyl-N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256640
N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
(4-ethylpiperazin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168658
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
2-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-4-carboxamide
CID 109175499
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (CID 109170232) is N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is KXJHJZBMGCKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-26(17-18-6-3-2-4-7-18)21(29)19-8-11-23-20(16-19)27-12-14-28(15-13-27)22-24-9-5-10-25-22/h2-11,16H,12-15,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109170232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).