N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide

C17H20N2O — CID 50971930

IUPACN-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccccn2)C(C)C)c1
InChIInChI=1S/C17H20N2O/c1-13(2)19(12-15-8-6-7-14(3)11-15)17(20)16-9-4-5-10-18-16/h4-11,13H,12H2,1-3H3
InChIKeyKZPDLXOTDMJZHS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.44
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide

N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 50971930) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID50971930
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1cccc(CN(C(=O)c2ccccn2)C(C)C)c1
InChIInChI=1S/C17H20N2O/c1-13(2)19(12-15-8-6-7-14(3)11-15)17(20)16-9-4-5-10-18-16/h4-11,13H,12H2,1-3H3
InChIKeyKZPDLXOTDMJZHS-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
CID 46989736
N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
CID 50979991
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481
N-[(3-chlorophenyl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 63048898
N-(3-methylphenyl)pyridine-2-carbohydrazide
CID 154695702
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171
N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide (CID 50971930) is N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide is Cc1cccc(CN(C(=O)c2ccccn2)C(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is KZPDLXOTDMJZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)19(12-15-8-6-7-14(3)11-15)17(20)16-9-4-5-10-18-16/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 50971930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).