N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide

C22H24N2O2 — CID 71583424

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O
InChIInChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23-21(25)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyLMXRPBOFMWAPJK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.67
Rot. Bonds5

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide (PubChem CID 71583424) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide
PubChem CID71583424
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O
InChIInChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23-21(25)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,14H,4-5,13H2,1-3H3,(H,23,25)
InChIKeyLMXRPBOFMWAPJK-UHFFFAOYSA-N
XLogP4.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
3-((2-Naphthylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453441
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
Bunaftine
CID 36131
N-(1-phenethylpiperidin-4-yl)-1-naphthamide
CID 35295787
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
N-(1-Napthalenecarbonyl)-Gly-boroPro
CID 15951636
3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide;hydrochloride
CID 22175262
Substituted Benzamide Derivative, 2
CID 44236114
6-(3-aminopropyl)benzo[h]isoquinolin-1(2H)-one
CID 44443516

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide (CID 71583424) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide is CCCCn1c(C)c(C)cc(NC(=O)c2cccc3ccccc23)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide?
The InChIKey is LMXRPBOFMWAPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-5-13-24-16(3)15(2)14-20(22(24)26)23-21(25)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,14H,4-5,13H2,1-3H3,(H,23,25).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)naphthalene-1-carboxamide is sourced from PubChem (CID 71583424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).