4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide

C18H23N3O — CID 109201321

IUPAC4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-21(13-15-8-6-5-7-9-15)16-10-11-19-17(12-16)18(22)20-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,22)
InChIKeyUCBCGDOXJYJWQI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.25
Rot. Bonds6

About 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide

4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109201321) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109201321
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccnc(C(=O)NC(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-21(13-15-8-6-5-7-9-15)16-10-11-19-17(12-16)18(22)20-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,22)
InChIKeyUCBCGDOXJYJWQI-UHFFFAOYSA-N
XLogP3.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
4-[benzyl(ethyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109212597
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
4-[benzyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109212665
4-[benzyl(ethyl)amino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212657
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643
4-[benzyl(ethyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109212660
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide (CID 109201321) is 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide is CCN(Cc1ccccc1)c1ccnc(C(=O)NC(C)C)c1.
What is the InChIKey of 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is UCBCGDOXJYJWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(13-15-8-6-5-7-9-15)16-10-11-19-17(12-16)18(22)20-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,20,22).
What are the key properties of 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide?
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109201321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).