N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide

C25H30N4O — CID 58496570

IUPACN-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
SMILESCCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1cccnc1
InChIInChI=1S/C25H30N4O/c1-4-7-20(22-8-6-11-26-15-22)13-23-16-27-17-24(29-23)21-10-9-19(18(3)12-21)14-25(30)28-5-2/h6,8-12,15-17,20H,4-5,7,13-14H2,1-3H3,(H,28,30)/t20-/m1/s1
InChIKeyRKEVCRJCZVCRNK-HXUWFJFHSA-N
MW402.54 g/mol
LogP4.65
Rot. Bonds9

About N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide

N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide (PubChem CID 58496570) 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-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
PubChem CID58496570
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide
SMILESCCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1cccnc1
InChIInChI=1S/C25H30N4O/c1-4-7-20(22-8-6-11-26-15-22)13-23-16-27-17-24(29-23)21-10-9-19(18(3)12-21)14-25(30)28-5-2/h6,8-12,15-17,20H,4-5,7,13-14H2,1-3H3,(H,28,30)/t20-/m1/s1
InChIKeyRKEVCRJCZVCRNK-HXUWFJFHSA-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-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide
CID 58496567
1-(dimethylamino)-3-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]propan-2-one
CID 58496565
1-ethyl-3-[2-ethyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea;methane
CID 159365500
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
CID 11316795
1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea
CID 143056501
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-[4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]pentan-2-one
CID 58496576
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1R)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
CID 122172982
1-[3-(diethylamino)propyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11352655
ethyl 3-pyridin-3-ylpentanoate
CID 171747994

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide (CID 58496570) is N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide is CCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1cccnc1.
What is the InChIKey of N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is RKEVCRJCZVCRNK-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O/c1-4-7-20(22-8-6-11-26-15-22)13-23-16-27-17-24(29-23)21-10-9-19(18(3)12-21)14-25(30)28-5-2/h6,8-12,15-17,20H,4-5,7,13-14H2,1-3H3,(H,28,30)/t20-/m1/s1.
What are the key properties of N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide?
N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-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-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 58496570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).