6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide

C21H26N4O3 — CID 170502948

IUPAC6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C21H26N4O3/c1-14-12-17(15-4-3-5-15)28-21(27)19(14)20(26)23-16-6-7-18(22-13-16)25-10-8-24(2)9-11-25/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,23,26)
InChIKeyMVWHKMMBLONSDS-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.61
Rot. Bonds4

About 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide

6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide (PubChem CID 170502948) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide
PubChem CID170502948
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C21H26N4O3/c1-14-12-17(15-4-3-5-15)28-21(27)19(14)20(26)23-16-6-7-18(22-13-16)25-10-8-24(2)9-11-25/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,23,26)
InChIKeyMVWHKMMBLONSDS-UHFFFAOYSA-N
XLogP2.61
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide with MolForge

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Related Compounds

3-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170508839
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18151192
3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-nitrobenzamide
CID 26125820
4-acetyl-3,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide
CID 17468156
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 136543255
(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26125737
(6S)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26125739
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
3,5-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2-oxazole-4-carboxamide
CID 37276422

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide (CID 170502948) is 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide is Cc1cc(C2CCC2)oc(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide?
The InChIKey is MVWHKMMBLONSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-12-17(15-4-3-5-15)28-21(27)19(14)20(26)23-16-6-7-18(22-13-16)25-10-8-24(2)9-11-25/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,23,26).
What are the key properties of 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide?
6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170502948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).