N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide

C18H21N3O — CID 167783479

IUPACN-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1ccc(C(C)Nc2ccc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C18H21N3O/c1-12-3-5-14(6-4-12)13(2)20-17-10-7-15(11-19-17)18(22)21-16-8-9-16/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNLBCXZHVONZGSE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.46
Rot. Bonds5

About N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide

N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 167783479) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID167783479
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCc1ccc(C(C)Nc2ccc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C18H21N3O/c1-12-3-5-14(6-4-12)13(2)20-17-10-7-15(11-19-17)18(22)21-16-8-9-16/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyNLBCXZHVONZGSE-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156112
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclohexyl-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 1441232
N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide (CID 167783479) is N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide is Cc1ccc(C(C)Nc2ccc(C(=O)NC3CC3)cn2)cc1.
What is the InChIKey of N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is NLBCXZHVONZGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-3-5-14(6-4-12)13(2)20-17-10-7-15(11-19-17)18(22)21-16-8-9-16/h3-7,10-11,13,16H,8-9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide?
N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 167783479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).