N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide

C22H31N3O — CID 109195430

IUPACN-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C22H31N3O/c1-5-14-24(15-6-2)20-12-13-21(23-16-20)22(26)25(18(3)4)17-19-10-8-7-9-11-19/h7-13,16,18H,5-6,14-15,17H2,1-4H3
InChIKeyFKXGVDXDMGPRDY-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.76
Rot. Bonds9

About N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide

N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109195430) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109195430
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C22H31N3O/c1-5-14-24(15-6-2)20-12-13-21(23-16-20)22(26)25(18(3)4)17-19-10-8-7-9-11-19/h7-13,16,18H,5-6,14-15,17H2,1-4H3
InChIKeyFKXGVDXDMGPRDY-UHFFFAOYSA-N
XLogP4.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
CID 109190727
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099313
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
6-N-benzyl-6-N-propan-2-yl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093496
5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109196630
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
N-benzyl-5-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195349
5-(methylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 113436082
5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192863
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272218
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
CID 109196611

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide (CID 109195430) is N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide is CCCN(CCC)c1ccc(C(=O)N(Cc2ccccc2)C(C)C)nc1.
What is the InChIKey of N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is FKXGVDXDMGPRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-5-14-24(15-6-2)20-12-13-21(23-16-20)22(26)25(18(3)4)17-19-10-8-7-9-11-19/h7-13,16,18H,5-6,14-15,17H2,1-4H3.
What are the key properties of N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide?
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109195430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).