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

C23H30N4O2 — CID 109088698

IUPACN-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C23H30N4O2/c1-4-5-11-25(3)23(29)21-17-19(9-10-24-21)22(28)27-14-12-26(13-15-27)20-8-6-7-18(2)16-20/h6-10,16-17H,4-5,11-15H2,1-3H3
InChIKeyTVNBVLUBFFINBH-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.22
Rot. Bonds6

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

N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 109088698) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID109088698
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C23H30N4O2/c1-4-5-11-25(3)23(29)21-17-19(9-10-24-21)22(28)27-14-12-26(13-15-27)20-8-6-7-18(2)16-20/h6-10,16-17H,4-5,11-15H2,1-3H3
InChIKeyTVNBVLUBFFINBH-UHFFFAOYSA-N
XLogP3.22
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
[4-(3-methylphenyl)piperazin-1-yl]-[2-(pentylamino)-4-pyridinyl]methanone
CID 109174364
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
CID 109088569
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019
N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149374

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (CID 109088698) is N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1.
What is the InChIKey of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is TVNBVLUBFFINBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-5-11-25(3)23(29)21-17-19(9-10-24-21)22(28)27-14-12-26(13-15-27)20-8-6-7-18(2)16-20/h6-10,16-17H,4-5,11-15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 109088698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).