N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane

C22H36N4O — CID 143580324

IUPACN,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2C)c(C)nc1NC.CCC.CO
InChIInChI=1S/C18H24N4.C3H8.CH4O/c1-10(2)15-9-8-14(12(5)20-15)17-13(6)21-18(19-7)16(22-17)11(3)4;1-3-2;1-2/h8-10H,3H2,1-2,4-7H3,(H,19,21);3H2,1-2H3;2H,1H3
InChIKeyANQSZGZHMDJINP-UHFFFAOYSA-N
MW372.56 g/mol
LogP5.38
Rot. Bonds4

About N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane

N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane (PubChem CID 143580324) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane.

Molecular Properties

Compound NameN,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane
PubChem CID143580324
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC NameN,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2C)c(C)nc1NC.CCC.CO
InChIInChI=1S/C18H24N4.C3H8.CH4O/c1-10(2)15-9-8-14(12(5)20-15)17-13(6)21-18(19-7)16(22-17)11(3)4;1-3-2;1-2/h8-10H,3H2,1-2,4-7H3,(H,19,21);3H2,1-2H3;2H,1H3
InChIKeyANQSZGZHMDJINP-UHFFFAOYSA-N
XLogP5.38
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-[[6-ethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-prop-1-en-2-ylpyrazin-2-yl]amino]butan-1-ol
CID 143580327
N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine
CID 143580268
3-(7-ethyl-2,5,6-trimethylpyrrolo[2,3-b]pyrazin-3-yl)-N-methyl-6-propan-2-ylpyridin-2-amine
CID 143015005
5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine
CID 143014953
2-methyl-6-propan-2-yl-3-pyridin-2-ylpyridine
CID 134286166
N-ethyl-3-[5-(1-methoxybutan-2-ylamino)-6-prop-1-en-2-yl-2-pyridinyl]-6-propan-2-ylpyridin-2-amine
CID 143580209
3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804525
(Z,3S)-3-ethyl-4-[5-ethyl-2-methyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-3-pyridinyl]hex-4-en-1-ol
CID 71157814
1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one
CID 145188258
4-(2-methyl-6-propan-2-yl-3-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 82452153
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069
2-methyl-6-propan-2-ylpyridine-3-carbohydrazide
CID 82452163

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane?
The IUPAC name of N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane (CID 143580324) is N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane.
What is the SMILES notation for N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane?
The canonical SMILES for N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane is C=C(C)c1nc(-c2ccc(C(C)C)nc2C)c(C)nc1NC.CCC.CO.
What is the InChIKey of N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane?
The InChIKey is ANQSZGZHMDJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.C3H8.CH4O/c1-10(2)15-9-8-14(12(5)20-15)17-13(6)21-18(19-7)16(22-17)11(3)4;1-3-2;1-2/h8-10H,3H2,1-2,4-7H3,(H,19,21);3H2,1-2H3;2H,1H3.
What are the key properties of N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane?
N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane has a molecular weight of 372.56 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-3-prop-1-en-2-ylpyrazin-2-amine;methanol;propane is sourced from PubChem (CID 143580324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).