N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide

C21H23N3O2 — CID 109155319

IUPACN-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NCc2ccco2)nc1
InChIInChI=1S/C21H23N3O2/c1-16(2)24(15-17-7-4-3-5-8-17)21(25)18-10-11-20(22-13-18)23-14-19-9-6-12-26-19/h3-13,16H,14-15H2,1-2H3,(H,22,23)
InChIKeyCAEFJOFKBQDSQU-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.34
Rot. Bonds7

About N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109155319) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109155319
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NCc2ccco2)nc1
InChIInChI=1S/C21H23N3O2/c1-16(2)24(15-17-7-4-3-5-8-17)21(25)18-10-11-20(22-13-18)23-14-19-9-6-12-26-19/h3-13,16H,14-15H2,1-2H3,(H,22,23)
InChIKeyCAEFJOFKBQDSQU-UHFFFAOYSA-N
XLogP4.34
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
N-benzyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109161151
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-benzyl-6-(3-fluoroanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161142
2-[acetyl(benzyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 133148522
6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
N-benzyl-N-[1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide
CID 133214091

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 109155319) is N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(NCc2ccco2)nc1.
What is the InChIKey of N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is CAEFJOFKBQDSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(2)24(15-17-7-4-3-5-8-17)21(25)18-10-11-20(22-13-18)23-14-19-9-6-12-26-19/h3-13,16H,14-15H2,1-2H3,(H,22,23).
What are the key properties of N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109155319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).