N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide

C25H30N4O — CID 58496567

IUPACN-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide
SMILESCCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1ccccn1
InChIInChI=1S/C25H30N4O/c1-4-8-20(23-9-6-7-12-28-23)14-22-16-26-17-24(29-22)21-11-10-19(18(3)13-21)15-25(30)27-5-2/h6-7,9-13,16-17,20H,4-5,8,14-15H2,1-3H3,(H,27,30)
InChIKeyJZQSSCYWKYYNQT-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.65
Rot. Bonds9

About N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide

N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide (PubChem CID 58496567) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide
PubChem CID58496567
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide
SMILESCCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1ccccn1
InChIInChI=1S/C25H30N4O/c1-4-8-20(23-9-6-7-12-28-23)14-22-16-26-17-24(29-22)21-11-10-19(18(3)13-21)15-25(30)27-5-2/h6-7,9-13,16-17,20H,4-5,8,14-15H2,1-3H3,(H,27,30)
InChIKeyJZQSSCYWKYYNQT-UHFFFAOYSA-N
XLogP4.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
CID 58496570
methane;1-[2-methoxy-4-[6-(4-methoxy-2-phenylbutyl)pyrazin-2-yl]phenyl]pentan-2-one;1-[2-methoxy-4-[6-[(2R)-3-methoxy-2-phenylpropyl]pyrazin-2-yl]phenyl]pentan-2-one;1-[2-methoxy-4-[5-methyl-6-(2-phenylpentyl)pyrazin-2-yl]phenyl]pentan-2-one;1-[2-methoxy-4-[6-[(2R)-2-phenylpropyl]pyrazin-2-yl]phenyl]pentan-2-one;2-[2-methoxy-4-[6-[(2R)-2-pyridin-2-ylpentyl]pyrazin-2-yl]phenyl]-N-methylacetamide
CID 159286958
1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one
CID 58496565
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
(2-methyl-4-pyridin-2-ylphenyl)methanol
CID 140586604
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea
CID 97242365
4-pyridin-2-ylheptanal
CID 88746457
2-decan-4-ylpyridine
CID 67882797
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
N-[[4-(6-chloropyrimidin-4-yl)-2-methylphenyl]methyl]propanamide
CID 123390280
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide (CID 58496567) is N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide is CCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1ccccn1.
What is the InChIKey of N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is JZQSSCYWKYYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-4-8-20(23-9-6-7-12-28-23)14-22-16-26-17-24(29-22)21-11-10-19(18(3)13-21)15-25(30)27-5-2/h6-7,9-13,16-17,20H,4-5,8,14-15H2,1-3H3,(H,27,30).
What are the key properties of N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide?
N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 58496567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).