5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide

C25H29N3O — CID 109239775

IUPAC5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1)c1cccc(C)c1
InChIInChI=1S/C25H29N3O/c1-5-27(23-13-9-10-20(4)14-23)25(29)22-15-24(17-26-16-22)28(19(2)3)18-21-11-7-6-8-12-21/h6-17,19H,5,18H2,1-4H3
InChIKeyLRGBCRAHOHNRTK-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.47
Rot. Bonds7

About 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide

5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109239775) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109239775
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1)c1cccc(C)c1
InChIInChI=1S/C25H29N3O/c1-5-27(23-13-9-10-20(4)14-23)25(29)22-15-24(17-26-16-22)28(19(2)3)18-21-11-7-6-8-12-21/h6-17,19H,5,18H2,1-4H3
InChIKeyLRGBCRAHOHNRTK-UHFFFAOYSA-N
XLogP5.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
CID 109239734
N-ethyl-N-(3-hydroxyphenyl)-5-methylpyridine-3-carboxamide
CID 107736486
N-ethyl-5-(3-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109241929
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
N-ethyl-N-(3-methylphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103874
5-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109230056

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109239775) is 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide is CCN(C(=O)c1cncc(N(Cc2ccccc2)C(C)C)c1)c1cccc(C)c1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is LRGBCRAHOHNRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-5-27(23-13-9-10-20(4)14-23)25(29)22-15-24(17-26-16-22)28(19(2)3)18-21-11-7-6-8-12-21/h6-17,19H,5,18H2,1-4H3.
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).