3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide

C16H17N3O2 — CID 131988907

IUPAC3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCc1c(C(N)=O)cc(C(C)c2ccccc2)nc1C(N)=O
InChIInChI=1S/C16H17N3O2/c1-9(11-6-4-3-5-7-11)13-8-12(15(17)20)10(2)14(19-13)16(18)21/h3-9H,1-2H3,(H2,17,20)(H2,18,21)
InChIKeyPXDBDUGGAMVDPB-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.74
Rot. Bonds4

About 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide

3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 131988907) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID131988907
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCc1c(C(N)=O)cc(C(C)c2ccccc2)nc1C(N)=O
InChIInChI=1S/C16H17N3O2/c1-9(11-6-4-3-5-7-11)13-8-12(15(17)20)10(2)14(19-13)16(18)21/h3-9H,1-2H3,(H2,17,20)(H2,18,21)
InChIKeyPXDBDUGGAMVDPB-UHFFFAOYSA-N
XLogP1.74
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
2-[(1S)-1-phenylethyl]-4-pyridin-4-ylbenzamide
CID 140555965
2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide
CID 175960311
3-amino-2-(1-phenylethyl)benzamide
CID 135263539
4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
CID 131997086
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
2-[(2-methylphenyl)-phenylmethyl]benzamide
CID 68831264
(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
CID 174804503
5-amino-2-(1-phenylethoxy)pyridine-3-carboxamide
CID 61357633
5-amino-2-(1-phenylethoxy)pyridine-4-carboxamide
CID 114090660
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide
CID 174996851

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide (CID 131988907) is 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide is Cc1c(C(N)=O)cc(C(C)c2ccccc2)nc1C(N)=O.
What is the InChIKey of 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is PXDBDUGGAMVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9(11-6-4-3-5-7-11)13-8-12(15(17)20)10(2)14(19-13)16(18)21/h3-9H,1-2H3,(H2,17,20)(H2,18,21).
What are the key properties of 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 131988907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).