N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C18H24N2O2 — CID 53015402

IUPACN-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccc(C(=O)N2CC=C(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-13-6-5-7-15(12-13)17(22)20-10-8-14(9-11-20)16(21)19-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,21)
InChIKeyCVYGPXJOYOSBDF-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.68
Rot. Bonds2

About N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide

N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53015402) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53015402
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1cccc(C(=O)N2CC=C(C(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C18H24N2O2/c1-13-6-5-7-15(12-13)17(22)20-10-8-14(9-11-20)16(21)19-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,21)
InChIKeyCVYGPXJOYOSBDF-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 113352939
N-tert-butyl-3-(piperidine-1-carbonyl)benzamide
CID 109052027
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
(3-bromophenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 113340778
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113086866
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
N-tert-butyl-4-(3-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3963492
3-methylbenzoic acid
CID 7418
(1E)-N'-tert-butyl-N'-(3-methylbenzoyl)cyclooctene-1-carbohydrazide
CID 88511224

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53015402) is N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1cccc(C(=O)N2CC=C(C(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is CVYGPXJOYOSBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-6-5-7-15(12-13)17(22)20-10-8-14(9-11-20)16(21)19-18(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-methylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53015402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).