N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide

C23H22N2O3 — CID 155392150

IUPACN-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide
SMILESCC1=C(Cc2ccc(C(=O)NC3CCCC3)cn2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H22N2O3/c1-14-20(22(27)19-9-5-4-8-18(19)21(14)26)12-17-11-10-15(13-24-17)23(28)25-16-6-2-3-7-16/h4-5,8-11,13,16H,2-3,6-7,12H2,1H3,(H,25,28)
InChIKeyBASGEGFANPBPCG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.69
Rot. Bonds4

About N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide

N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 155392150) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID155392150
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide
SMILESCC1=C(Cc2ccc(C(=O)NC3CCCC3)cn2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H22N2O3/c1-14-20(22(27)19-9-5-4-8-18(19)21(14)26)12-17-11-10-15(13-24-17)23(28)25-16-6-2-3-7-16/h4-5,8-11,13,16H,2-3,6-7,12H2,1H3,(H,25,28)
InChIKeyBASGEGFANPBPCG-UHFFFAOYSA-N
XLogP3.69
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide
CID 155412083
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 90899545
6-tert-butyl-N-cyclohexylpyridine-3-carboxamide
CID 20709646
N-cyclopentyl-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 1447863
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide (CID 155392150) is N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide is CC1=C(Cc2ccc(C(=O)NC3CCCC3)cn2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is BASGEGFANPBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-14-20(22(27)19-9-5-4-8-18(19)21(14)26)12-17-11-10-15(13-24-17)23(28)25-16-6-2-3-7-16/h4-5,8-11,13,16H,2-3,6-7,12H2,1H3,(H,25,28).
What are the key properties of N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide?
N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(3-methyl-1,4-dioxonaphthalen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155392150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).