N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide

C21H27N3O2 — CID 109185160

IUPACN-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C21H27N3O2/c1-16(2)24(15-17-7-4-3-5-8-17)21(25)20-11-10-18(13-23-20)22-14-19-9-6-12-26-19/h3-5,7-8,10-11,13,16,19,22H,6,9,12,14-15H2,1-2H3
InChIKeyIYSRXAOSGBRQFE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.72
Rot. Bonds7

About N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide

N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109185160) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109185160
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C21H27N3O2/c1-16(2)24(15-17-7-4-3-5-8-17)21(25)20-11-10-18(13-23-20)22-14-19-9-6-12-26-19/h3-5,7-8,10-11,13,16,19,22H,6,9,12,14-15H2,1-2H3
InChIKeyIYSRXAOSGBRQFE-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195349
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277
(4-benzylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185136
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
N-[(4-methoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185120
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115031
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide (CID 109185160) is N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(NCC2CCCO2)cn1.
What is the InChIKey of N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is IYSRXAOSGBRQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)24(15-17-7-4-3-5-8-17)21(25)20-11-10-18(13-23-20)22-14-19-9-6-12-26-19/h3-5,7-8,10-11,13,16,19,22H,6,9,12,14-15H2,1-2H3.
What are the key properties of N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide?
N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109185160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).