N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C18H22N2O2 — CID 53015411

IUPACN-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2CC=C(C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C18H22N2O2/c1-12-3-4-15(11-13(12)2)18(22)20-9-7-14(8-10-20)17(21)19-16-5-6-16/h3-4,7,11,16H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyDYYXMXXIYUKECK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.35
Rot. Bonds3

About N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide

N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53015411) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53015411
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2CC=C(C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C18H22N2O2/c1-12-3-4-15(11-13(12)2)18(22)20-9-7-14(8-10-20)17(21)19-16-5-6-16/h3-4,7,11,16H,5-6,8-10H2,1-2H3,(H,19,21)
InChIKeyDYYXMXXIYUKECK-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
AR-M1000390
CID 9841259
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
N,N,N',N'-Tetraethylphthalamide
CID 66526
N-Ethyl-3-toluamide
CID 93103
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
Azd-5213
CID 53342708

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53015411) is N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(C(=O)N2CC=C(C(=O)NC3CC3)CC2)cc1C.
What is the InChIKey of N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is DYYXMXXIYUKECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-3-4-15(11-13(12)2)18(22)20-9-7-14(8-10-20)17(21)19-16-5-6-16/h3-4,7,11,16H,5-6,8-10H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,4-dimethylbenzoyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53015411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).