5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide

C20H28N4O — CID 109192958

IUPAC5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20(25)19-7-6-18(16-22-19)23(3)15-10-17-8-11-21-12-9-17/h6-9,11-12,16H,4-5,10,13-15H2,1-3H3
InChIKeyASMPXTXIAGYCTK-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.42
Rot. Bonds9

About 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide

5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109192958) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
PubChem CID109192958
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20(25)19-7-6-18(16-22-19)23(3)15-10-17-8-11-21-12-9-17/h6-9,11-12,16H,4-5,10,13-15H2,1-3H3
InChIKeyASMPXTXIAGYCTK-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285075
4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109214742
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192949
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950
5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
CID 115488282
N-(3,5-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192971
(4-methylpiperidin-1-yl)-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109183274
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 115940386
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
3,4-dihydro-2H-quinolin-1-yl-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109192967
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide (CID 109192958) is 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1ccc(N(C)CCc2ccncc2)cn1.
What is the InChIKey of 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is ASMPXTXIAGYCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20(25)19-7-6-18(16-22-19)23(3)15-10-17-8-11-21-12-9-17/h6-9,11-12,16H,4-5,10,13-15H2,1-3H3.
What are the key properties of 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109192958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).