2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C24H25N5O — CID 166551350

IUPAC2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2.[H]/N=C(\c1ccnc(OC)c1)c1cc(N)ccc1N
InChIInChI=1S/C13H14N4O.C11H11N/c1-18-12-6-8(4-5-17-12)13(16)10-7-9(14)2-3-11(10)15;12-8-9-5-6-10-3-1-2-4-11(10)7-9/h2-7,16H,14-15H2,1H3;5-7H,1-4H2/b16-13+;
InChIKeyOHZDTMQVKZZBAG-ZUQRMPMESA-N
MW399.50 g/mol
LogP4.11
Rot. Bonds3

About 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile

2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 166551350) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID166551350
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC2.[H]/N=C(\c1ccnc(OC)c1)c1cc(N)ccc1N
InChIInChI=1S/C13H14N4O.C11H11N/c1-18-12-6-8(4-5-17-12)13(16)10-7-9(14)2-3-11(10)15;12-8-9-5-6-10-3-1-2-4-11(10)7-9/h2-7,16H,14-15H2,1H3;5-7H,1-4H2/b16-13+;
InChIKeyOHZDTMQVKZZBAG-ZUQRMPMESA-N
XLogP4.11
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-indene-5-carbonitrile;2-(1,2-oxazole-4-carboximidoyl)benzene-1,4-diamine
CID 156850491
2,3-dihydro-1H-indene-5-carbonitrile;2-ethanimidoylbenzene-1,4-diamine
CID 156850812
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridine-4-carboximidoyl]benzene-1,4-diamine
CID 159549771
2-(3-methylbenzenecarboximidoyl)benzene-1,4-diamine
CID 155482417
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridine-4-carboximidamide
CID 61398835
2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine
CID 158826135
2-(benzenecarboximidoyl)benzene-1,4-diamine
CID 142270797
N-[4-amino-3-(2-methoxypyridine-4-carboximidoyl)phenyl]-5-bromo-3-(trifluoromethyl)pyridine-2-carboxamide
CID 155482731
2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
CID 155481805
1-[4-amino-N-methyl-3-(1,3-oxazole-5-carboximidoyl)anilino]-2,3-dihydro-1H-indene-5-carbonitrile
CID 156851052
5-[4-amino-3-(cyclohexene-1-carboximidoyl)anilino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 156850980
4-[4-amino-3-(pyridine-4-carboximidoyl)phenoxy]pyridine-3-carbonitrile
CID 166551431

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 166551350) is 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1)CCCC2.[H]/N=C(\c1ccnc(OC)c1)c1cc(N)ccc1N.
What is the InChIKey of 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is OHZDTMQVKZZBAG-ZUQRMPMESA-N. The full InChI is InChI=1S/C13H14N4O.C11H11N/c1-18-12-6-8(4-5-17-12)13(16)10-7-9(14)2-3-11(10)15;12-8-9-5-6-10-3-1-2-4-11(10)7-9/h2-7,16H,14-15H2,1H3;5-7H,1-4H2/b16-13+;.
What are the key properties of 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 399.50 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypyridine-4-carboximidoyl)benzene-1,4-diamine;5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 166551350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).