6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine

C20H24N6O — CID 146420736

IUPAC6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine
SMILES[H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1C
InChIInChI=1S/C20H24N6O/c1-5-27-20-16(7-6-8-22-20)18-9-17(13(2)19(10-21)25-18)24-14(3)15-11-23-26(4)12-15/h6-12,14,21H,5H2,1-4H3,(H,24,25)/b21-10+
InChIKeyYMDYMRSEWSKFLU-UFFVCSGVSA-N
MW364.45 g/mol
LogP3.75
Rot. Bonds7

About 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine

6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine (PubChem CID 146420736) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine
PubChem CID146420736
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine
SMILES[H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1C
InChIInChI=1S/C20H24N6O/c1-5-27-20-16(7-6-8-22-20)18-9-17(13(2)19(10-21)25-18)24-14(3)15-11-23-26(4)12-15/h6-12,14,21H,5H2,1-4H3,(H,24,25)/b21-10+
InChIKeyYMDYMRSEWSKFLU-UFFVCSGVSA-N
XLogP3.75
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine
CID 138687997
1-butan-2-yl-5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,5-b]pyridin-7-amine
CID 155376493
N-(1-aminoethylidene)-2-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]amino]ethanimidamide
CID 138746762
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-(2-methoxyethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 102848915
3-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114286400
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-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-ethynyl-N-propan-2-ylpyridin-3-amine
CID 138746649
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155768026
2-ethanimidoyl-6-(2-ethoxy-3-pyridinyl)-4-N-[(6-methoxy-2-pyridinyl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
CID 155028589

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine (CID 146420736) is 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine is [H]/N=C/c1nc(-c2cccnc2OCC)cc(NC(C)c2cnn(C)c2)c1C.
What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
The InChIKey is YMDYMRSEWSKFLU-UFFVCSGVSA-N. The full InChI is InChI=1S/C20H24N6O/c1-5-27-20-16(7-6-8-22-20)18-9-17(13(2)19(10-21)25-18)24-14(3)15-11-23-26(4)12-15/h6-12,14,21H,5H2,1-4H3,(H,24,25)/b21-10+.
What are the key properties of 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine?
6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-3-pyridinyl)-2-methanimidoyl-3-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 146420736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).