(Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol

C18H23N3O — CID 129076519

IUPAC(Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol
SMILESCN/C=C(\NCc1ccc(-c2cccnc2)cc1)C(C)(C)O
InChIInChI=1S/C18H23N3O/c1-18(2,22)17(13-19-3)21-11-14-6-8-15(9-7-14)16-5-4-10-20-12-16/h4-10,12-13,19,21-22H,11H2,1-3H3/b17-13-
InChIKeyLGDJEAQEUHYZFQ-LGMDPLHJSA-N
MW297.40 g/mol
LogP2.67
Rot. Bonds6

About (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol

(Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol (PubChem CID 129076519) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol.

Molecular Properties

Compound Name(Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol
PubChem CID129076519
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol
SMILESCN/C=C(\NCc1ccc(-c2cccnc2)cc1)C(C)(C)O
InChIInChI=1S/C18H23N3O/c1-18(2,22)17(13-19-3)21-11-14-6-8-15(9-7-14)16-5-4-10-20-12-16/h4-10,12-13,19,21-22H,11H2,1-3H3/b17-13-
InChIKeyLGDJEAQEUHYZFQ-LGMDPLHJSA-N
XLogP2.67
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol with MolForge

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Related Compounds

N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
CID 58452186
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]urea
CID 71925683
4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
CID 71993129
3-azulen-6-ylpyridine
CID 86232079
N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133332763
4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
CID 133332712
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
2-[2-[(4-pyridin-3-ylphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 174704498
methyl 2-[(4-pyridin-3-ylphenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 86665086
2-phenyl-2-[(4-pyridin-3-ylphenyl)methylamino]acetamide
CID 75374761
3-[4-(4-but-3-enylphenyl)phenyl]pyridine
CID 142377075

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol?
The IUPAC name of (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol (CID 129076519) is (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol.
What is the SMILES notation for (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol?
The canonical SMILES for (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol is CN/C=C(\NCc1ccc(-c2cccnc2)cc1)C(C)(C)O.
What is the InChIKey of (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol?
The InChIKey is LGDJEAQEUHYZFQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,22)17(13-19-3)21-11-14-6-8-15(9-7-14)16-5-4-10-20-12-16/h4-10,12-13,19,21-22H,11H2,1-3H3/b17-13-.
What are the key properties of (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol?
(Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol has a molecular weight of 297.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(methylamino)-3-[(4-pyridin-3-ylphenyl)methylamino]but-3-en-2-ol is sourced from PubChem (CID 129076519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).