2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine

C19H22N4O — CID 138746649

IUPAC2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine
SMILES[H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(C#C)c1NC(C)C
InChIInChI=1S/C19H22N4O/c1-6-14-11-16(15-9-8-10-21-19(15)24-7-2)23-17(13(5)20)18(14)22-12(3)4/h1,8-12,20,22H,7H2,2-5H3/b20-13+
InChIKeyFLOVJCZEUCRXNQ-DEDYPNTBSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds6

About 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine

2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine (PubChem CID 138746649) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine
PubChem CID138746649
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine
SMILES[H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(C#C)c1NC(C)C
InChIInChI=1S/C19H22N4O/c1-6-14-11-16(15-9-8-10-21-19(15)24-7-2)23-17(13(5)20)18(14)22-12(3)4/h1,8-12,20,22H,7H2,2-5H3/b20-13+
InChIKeyFLOVJCZEUCRXNQ-DEDYPNTBSA-N
XLogP3.73
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
CID 146420510
2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
CID 155028608
2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
CID 155028589
3-[4-chloro-6-(2-ethoxy-3-pyridinyl)-3-(propan-2-ylamino)-2-pyridinyl]-3-iminopropane-1,2-diol
CID 138746663
3-N-butan-2-yl-2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(2-methyltetrazol-5-yl)methyl]pyridine-3,4-diamine
CID 155773321
4-N-[[1-(difluoromethyl)pyrazol-4-yl]methyl]-2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(4-methoxyphenyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
CID 142608537
2-(3,3-difluoropropanimidoyl)-6-(2-ethoxy-3-pyridinyl)-3-N-propan-2-yl-4-N-(1H-pyrazol-4-ylmethyl)pyridine-3,4-diamine;methane
CID 159473705
2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-N-(oxetan-3-yl)pyridine-3,4-diamine
CID 142604698
3-[4-chloro-6-(2-ethoxy-3-pyridinyl)-3-methyl-2-pyridinyl]-3-iminopropane-1,2-diol
CID 145436220
2-[[2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-pyridinyl]amino]-N'-(methyliminomethyl)ethanimidamide
CID 146420536
2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-N-[(E)-2-(2-methylprop-2-enyl)hex-2-enyl]pyridin-4-amine
CID 146420552
ethanimidoyl 2-[[1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-2-ethyl-3-methylpyrrolo[3,2-b]pyridin-7-yl]amino]ethanimidate
CID 145436223

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine (CID 138746649) is 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine is [H]/N=C(\C)c1nc(-c2cccnc2OCC)cc(C#C)c1NC(C)C.
What is the InChIKey of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine?
The InChIKey is FLOVJCZEUCRXNQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N4O/c1-6-14-11-16(15-9-8-10-21-19(15)24-7-2)23-17(13(5)20)18(14)22-12(3)4/h1,8-12,20,22H,7H2,2-5H3/b20-13+.
What are the key properties of 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine?
2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine has a molecular weight of 322.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 138746649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).