N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

C21H24N4O2 — CID 109078658

IUPACN-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(C(=O)NC4CC4)c3)CC2)c1
InChIInChI=1S/C21H24N4O2/c1-15-3-2-4-18(13-15)24-9-11-25(12-10-24)21(27)16-7-8-22-19(14-16)20(26)23-17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3,(H,23,26)
InChIKeyVWNWDQMWHKOHIF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.24
Rot. Bonds4

About N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 109078658) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID109078658
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3ccnc(C(=O)NC4CC4)c3)CC2)c1
InChIInChI=1S/C21H24N4O2/c1-15-3-2-4-18(13-15)24-9-11-25(12-10-24)21(27)16-7-8-22-19(14-16)20(26)23-17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3,(H,23,26)
InChIKeyVWNWDQMWHKOHIF-UHFFFAOYSA-N
XLogP2.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
[4-(3-methylphenyl)piperazin-1-yl]-[2-(pentylamino)-4-pyridinyl]methanone
CID 109174364
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747
[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109167191
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (CID 109078658) is N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is Cc1cccc(N2CCN(C(=O)c3ccnc(C(=O)NC4CC4)c3)CC2)c1.
What is the InChIKey of N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is VWNWDQMWHKOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-3-2-4-18(13-15)24-9-11-25(12-10-24)21(27)16-7-8-22-19(14-16)20(26)23-17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3,(H,23,26).
What are the key properties of N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 109078658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).