N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol

C25H40N4O — CID 143579960

IUPACN-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol
SMILESC=CN(C)c1nc(-c2ccc(C(C)C)nc2CC)c(CC)nc1C[C@H](C)CC.CO
InChIInChI=1S/C24H36N4.CH4O/c1-9-17(7)15-22-24(28(8)12-4)27-23(20(11-3)26-22)18-13-14-21(16(5)6)25-19(18)10-2;1-2/h12-14,16-17H,4,9-11,15H2,1-3,5-8H3;2H,1H3/t17-;/m1./s1
InChIKeyOMGJCNLHRZLEEO-UNTBIKODSA-N
MW412.62 g/mol
LogP5.56
Rot. Bonds9

About N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol

N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol (PubChem CID 143579960) has the molecular formula C25H40N4O and a molecular weight of 412.62 g/mol. Its IUPAC name is N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol.

Molecular Properties

Compound NameN-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol
PubChem CID143579960
Molecular FormulaC25H40N4O
Molecular Weight412.62 g/mol
Exact Mass412.32
IUPAC NameN-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol
SMILESC=CN(C)c1nc(-c2ccc(C(C)C)nc2CC)c(CC)nc1C[C@H](C)CC.CO
InChIInChI=1S/C24H36N4.CH4O/c1-9-17(7)15-22-24(28(8)12-4)27-23(20(11-3)26-22)18-13-14-21(16(5)6)25-19(18)10-2;1-2/h12-14,16-17H,4,9-11,15H2,1-3,5-8H3;2H,1H3/t17-;/m1./s1
InChIKeyOMGJCNLHRZLEEO-UNTBIKODSA-N
XLogP5.56
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.62
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethane;ethanol;3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-6-methyl-5-[(Z)-pent-2-en-3-yl]pyridine
CID 143580082
ethane;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-5-(3-methylpentan-2-yl)pyridine;methanol
CID 143580453
3-ethyl-2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-7-methyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine
CID 143580126
2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine
CID 22248949
3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69443702
5-[2-(dimethylamino)-6-propan-2-yl-3-pyridinyl]-3-ethanimidoyl-6-ethyl-N-pentan-3-ylpyrazin-2-amine
CID 143020016
(2S)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]butanoic acid
CID 71157631
[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine
CID 69441750
3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804525
2-[6-ethyl-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
CID 78016561
(3R)-3-[3-(2-ethyl-6-propan-2-yl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
CID 24788873
2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
CID 143580493

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol?
The IUPAC name of N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol (CID 143579960) is N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol.
What is the SMILES notation for N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol?
The canonical SMILES for N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol is C=CN(C)c1nc(-c2ccc(C(C)C)nc2CC)c(CC)nc1C[C@H](C)CC.CO.
What is the InChIKey of N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol?
The InChIKey is OMGJCNLHRZLEEO-UNTBIKODSA-N. The full InChI is InChI=1S/C24H36N4.CH4O/c1-9-17(7)15-22-24(28(8)12-4)27-23(20(11-3)26-22)18-13-14-21(16(5)6)25-19(18)10-2;1-2/h12-14,16-17H,4,9-11,15H2,1-3,5-8H3;2H,1H3/t17-;/m1./s1.
What are the key properties of N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol?
N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol has a molecular weight of 412.62 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-ethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)-N-methyl-3-[(2R)-2-methylbutyl]pyrazin-2-amine;methanol is sourced from PubChem (CID 143579960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).