(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

C25H37N3O — CID 71157814

IUPAC(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
SMILESC/C=C(\c1cc(CC)c(-c2ccc(C(C)C)nc2NC)nc1C)[C@@H](CC)CCO
InChIInChI=1S/C25H37N3O/c1-8-18(13-14-29)20(10-3)22-15-19(9-2)24(27-17(22)6)21-11-12-23(16(4)5)28-25(21)26-7/h10-12,15-16,18,29H,8-9,13-14H2,1-7H3,(H,26,28)/b20-10-/t18-/m0/s1
InChIKeyWUVQUVQDOIXGCY-VNAJSCGASA-N
MW395.59 g/mol
LogP5.99
Rot. Bonds9

About (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

(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 (PubChem CID 71157814) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71157814
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name(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
SMILESC/C=C(\c1cc(CC)c(-c2ccc(C(C)C)nc2NC)nc1C)[C@@H](CC)CCO
InChIInChI=1S/C25H37N3O/c1-8-18(13-14-29)20(10-3)22-15-19(9-2)24(27-17(22)6)21-11-12-23(16(4)5)28-25(21)26-7/h10-12,15-16,18,29H,8-9,13-14H2,1-7H3,(H,26,28)/b20-10-/t18-/m0/s1
InChIKeyWUVQUVQDOIXGCY-VNAJSCGASA-N
XLogP5.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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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
3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58702767
3,6-diethyl-5-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804525
N-[2-[[3-(3,6-diethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-propan-2-yl-2-pyridinyl]amino]ethyl]acetamide
CID 143580388
3-(7-ethyl-2,5,6-trimethylpyrrolo[2,3-b]pyrazin-3-yl)-N-methyl-6-propan-2-ylpyridin-2-amine
CID 143015005
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
(2R)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-5H-cyclopenta[b]pyrazin-7-yl]butan-1-ol
CID 71157699
(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]butan-1-ol
CID 24788523
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
(2S)-2-[2-ethyl-5-methyl-3-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-ol
CID 69405635
3-[1-(1-methoxybutan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69447678
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58703019

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C=C(\c1cc(CC)c(-c2ccc(C(C)C)nc2NC)nc1C)[C@@H](CC)CCO.
What is the InChIKey of (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?
The InChIKey is WUVQUVQDOIXGCY-VNAJSCGASA-N. The full InChI is InChI=1S/C25H37N3O/c1-8-18(13-14-29)20(10-3)22-15-19(9-2)24(27-17(22)6)21-11-12-23(16(4)5)28-25(21)26-7/h10-12,15-16,18,29H,8-9,13-14H2,1-7H3,(H,26,28)/b20-10-/t18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 395.59 g/mol, XLogP of 5.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71157814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).