N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide

C18H21N3O — CID 119615030

IUPACN-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C18H21N3O/c1-12-15(18(22)21-17(11-19)14-7-8-14)9-10-16(20-12)13-5-3-2-4-6-13/h2-6,9-10,14,17H,7-8,11,19H2,1H3,(H,21,22)
InChIKeyKNFHVMXXGPEHNH-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.52
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 119615030) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID119615030
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)NC(CN)C1CC1
InChIInChI=1S/C18H21N3O/c1-12-15(18(22)21-17(11-19)14-7-8-14)9-10-16(20-12)13-5-3-2-4-6-13/h2-6,9-10,14,17H,7-8,11,19H2,1H3,(H,21,22)
InChIKeyKNFHVMXXGPEHNH-UHFFFAOYSA-N
XLogP2.52
TPSA68.01 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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 120508416
N-(1-hydroxypropan-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78856776
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119610704
N-cyclohexyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 3410229
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-(2-amino-1-cyclohexylethyl)-2-methylpyridine-3-carboxamide
CID 81485625
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopropylethyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 119617767
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-6-phenylpyridine-3-carboxamide
CID 31847366
N-(2-amino-2-methylpropyl)-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119627957

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide (CID 119615030) is N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is KNFHVMXXGPEHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-12-15(18(22)21-17(11-19)14-7-8-14)9-10-16(20-12)13-5-3-2-4-6-13/h2-6,9-10,14,17H,7-8,11,19H2,1H3,(H,21,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 119615030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).