N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

C22H28N4O3 — CID 109094649

IUPACN-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C22H28N4O3/c1-4-16(2)23-21(27)19-6-5-7-20(24-19)22(28)26-14-12-25(13-15-26)17-8-10-18(29-3)11-9-17/h5-11,16H,4,12-15H2,1-3H3,(H,23,27)
InChIKeyFPCDDMTWJCTWDT-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.58
Rot. Bonds6

About N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide

N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 109094649) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID109094649
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C22H28N4O3/c1-4-16(2)23-21(27)19-6-5-7-20(24-19)22(28)26-14-12-25(13-15-26)17-8-10-18(29-3)11-9-17/h5-11,16H,4,12-15H2,1-3H3,(H,23,27)
InChIKeyFPCDDMTWJCTWDT-UHFFFAOYSA-N
XLogP2.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109362393
6-N-butan-2-yl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,6-dicarboxamide
CID 109094634
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 35325173
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 95126839
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
N-butan-2-yl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109051475

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide (CID 109094649) is N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is CCC(C)NC(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is FPCDDMTWJCTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-16(2)23-21(27)19-6-5-7-20(24-19)22(28)26-14-12-25(13-15-26)17-8-10-18(29-3)11-9-17/h5-11,16H,4,12-15H2,1-3H3,(H,23,27).
What are the key properties of N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide?
N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 109094649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).