1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H25N3O4 — CID 55895789

IUPAC1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)C2(C)Cc3ccccc3C(=O)O2)C1
InChIInChI=1S/C23H25N3O4/c1-15-7-5-11-24-19(15)25-20(27)17-9-6-12-26(14-17)22(29)23(2)13-16-8-3-4-10-18(16)21(28)30-23/h3-5,7-8,10-11,17H,6,9,12-14H2,1-2H3,(H,24,25,27)
InChIKeyRUPVITXNFKYTJW-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55895789) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55895789
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)C2(C)Cc3ccccc3C(=O)O2)C1
InChIInChI=1S/C23H25N3O4/c1-15-7-5-11-24-19(15)25-20(27)17-9-6-12-26(14-17)22(29)23(2)13-16-8-3-4-10-18(16)21(28)30-23/h3-5,7-8,10-11,17H,6,9,12-14H2,1-2H3,(H,24,25,27)
InChIKeyRUPVITXNFKYTJW-UHFFFAOYSA-N
XLogP2.74
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
N-(3-methyl-2-pyridinyl)-1-(4H-thieno[3,2-c]chromene-2-carbonyl)piperidine-3-carboxamide
CID 55895783
(3R)-3-methyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-4H-isochromen-1-one
CID 95768495
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
1-[6-(2-methylphenyl)pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 121070631
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55895789) is 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)C2(C)Cc3ccccc3C(=O)O2)C1.
What is the InChIKey of 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is RUPVITXNFKYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-7-5-11-24-19(15)25-20(27)17-9-6-12-26(14-17)22(29)23(2)13-16-8-3-4-10-18(16)21(28)30-23/h3-5,7-8,10-11,17H,6,9,12-14H2,1-2H3,(H,24,25,27).
What are the key properties of 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-oxo-4H-isochromene-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55895789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).