2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide

C20H24N4O — CID 56788391

IUPAC2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3(c4ccccc4)CC3)ccn2)CC1
InChIInChI=1S/C20H24N4O/c1-23-11-13-24(14-12-23)18-15-16(7-10-21-18)19(25)22-20(8-9-20)17-5-3-2-4-6-17/h2-7,10,15H,8-9,11-14H2,1H3,(H,22,25)
InChIKeyRCRDROLMOLBZQA-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.25
Rot. Bonds4

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

2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide (PubChem CID 56788391) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide
PubChem CID56788391
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3(c4ccccc4)CC3)ccn2)CC1
InChIInChI=1S/C20H24N4O/c1-23-11-13-24(14-12-23)18-15-16(7-10-21-18)19(25)22-20(8-9-20)17-5-3-2-4-6-17/h2-7,10,15H,8-9,11-14H2,1H3,(H,22,25)
InChIKeyRCRDROLMOLBZQA-UHFFFAOYSA-N
XLogP2.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
2-(4-methylpiperazin-1-yl)-N-(2-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 126768033
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111912291
2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 126780133
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111485980
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide (CID 56788391) is 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)NC3(c4ccccc4)CC3)ccn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is RCRDROLMOLBZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23-11-13-24(14-12-23)18-15-16(7-10-21-18)19(25)22-20(8-9-20)17-5-3-2-4-6-17/h2-7,10,15H,8-9,11-14H2,1H3,(H,22,25).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(1-phenylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 56788391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).