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

C20H28N4O — CID 109214742

IUPAC4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N(C)CCc2ccncc2)ccn1
InChIInChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20(25)19-16-18(8-12-22-19)23(3)15-9-17-6-10-21-11-7-17/h6-8,10-12,16H,4-5,9,13-15H2,1-3H3
InChIKeyPRTXUHSZTGYUKY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.42
Rot. Bonds9

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

4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109214742) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
PubChem CID109214742
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(N(C)CCc2ccncc2)ccn1
InChIInChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20(25)19-16-18(8-12-22-19)23(3)15-9-17-6-10-21-11-7-17/h6-8,10-12,16H,4-5,9,13-15H2,1-3H3
InChIKeyPRTXUHSZTGYUKY-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-dipropylpyridine-2-carboxamide
CID 109192958
4-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214653
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285075
N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213420
N-cycloheptyl-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214735
N-(2,6-difluorophenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214812
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214757
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide (CID 109214742) is 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(N(C)CCc2ccncc2)ccn1.
What is the InChIKey of 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is PRTXUHSZTGYUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-13-24(14-5-2)20(25)19-16-18(8-12-22-19)23(3)15-9-17-6-10-21-11-7-17/h6-8,10-12,16H,4-5,9,13-15H2,1-3H3.
What are the key properties of 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide?
4-[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 4-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).