N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide

C24H27N3O — CID 109217216

IUPACN-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H27N3O/c1-4-26(21-13-9-6-10-14-21)22-15-16-25-23(17-22)24(28)27(19(2)3)18-20-11-7-5-8-12-20/h5-17,19H,4,18H2,1-3H3
InChIKeySLERRBYYOLVBLM-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.29
Rot. Bonds7

About N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide

N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109217216) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109217216
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C24H27N3O/c1-4-26(21-13-9-6-10-14-21)22-15-16-25-23(17-22)24(28)27(19(2)3)18-20-11-7-5-8-12-20/h5-17,19H,4,18H2,1-3H3
InChIKeySLERRBYYOLVBLM-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

4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205803
N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217127

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide (CID 109217216) is N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide is CCN(c1ccccc1)c1ccnc(C(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SLERRBYYOLVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-4-26(21-13-9-6-10-14-21)22-15-16-25-23(17-22)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-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide?
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-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-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109217216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).