N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide

C20H22N4O — CID 70737422

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)n[nH]3)c2c1
InChIInChI=1S/C20H22N4O/c1-12-4-7-18-16(8-12)17(9-13(2)21-18)20(25)24(3)11-15-10-19(23-22-15)14-5-6-14/h4,7-10,14H,5-6,11H2,1-3H3,(H,22,23)
InChIKeyYIVHHGVOEAJJCU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.72
Rot. Bonds4

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide (PubChem CID 70737422) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide
PubChem CID70737422
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)n[nH]3)c2c1
InChIInChI=1S/C20H22N4O/c1-12-4-7-18-16(8-12)17(9-13(2)21-18)20(25)24(3)11-15-10-19(23-22-15)14-5-6-14/h4,7-10,14H,5-6,11H2,1-3H3,(H,22,23)
InChIKeyYIVHHGVOEAJJCU-UHFFFAOYSA-N
XLogP3.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 155945625
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154895225
N,2,6-trimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline-4-carboxamide
CID 70753273
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541
2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid
CID 120519214
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide
CID 91760362
N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
CID 18120133
N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
CID 70723101

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide (CID 70737422) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)N(C)Cc3cc(C4CC4)n[nH]3)c2c1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide?
The InChIKey is YIVHHGVOEAJJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-12-4-7-18-16(8-12)17(9-13(2)21-18)20(25)24(3)11-15-10-19(23-22-15)14-5-6-14/h4,7-10,14H,5-6,11H2,1-3H3,(H,22,23).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 70737422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).