N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide

C24H27N3O — CID 109239700

IUPACN-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCN(c1ccccc1)c1cncc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H27N3O/c1-4-26(22-13-9-6-10-14-22)23-15-21(16-25-17-23)24(28)27(19(2)3)18-20-11-7-5-8-12-20/h5-17,19H,4,18H2,1-3H3
InChIKeyUZUPTNYGPCQPMS-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.29
Rot. Bonds7

About N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109239700) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109239700
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCCN(c1ccccc1)c1cncc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H27N3O/c1-4-26(22-13-9-6-10-14-22)23-15-21(16-25-17-23)24(28)27(19(2)3)18-20-11-7-5-8-12-20/h5-17,19H,4,18H2,1-3H3
InChIKeyUZUPTNYGPCQPMS-UHFFFAOYSA-N
XLogP5.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-(N-ethylanilino)-N-phenylpyridine-3-carboxamide
CID 109243544
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106106
N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239678
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
CID 109239734
N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109227244
5-[benzyl(propan-2-yl)amino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109239775
N-benzyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109239728

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide (CID 109239700) is N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide is CCN(c1ccccc1)c1cncc(C(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UZUPTNYGPCQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-4-26(22-13-9-6-10-14-22)23-15-21(16-25-17-23)24(28)27(19(2)3)18-20-11-7-5-8-12-20/h5-17,19H,4,18H2,1-3H3.
What are the key properties of N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109239700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).