6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide

C19H21N3O — CID 46495926

IUPAC6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(C)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21N3O/c1-13-7-8-18(12-20-13)19(23)22-21-14(2)16-10-9-15-5-3-4-6-17(15)11-16/h7-12H,3-6H2,1-2H3,(H,22,23)/b21-14-
InChIKeyQSCFWXVIQIDDBN-STZFKDTASA-N
MW307.40 g/mol
LogP3.42
Rot. Bonds3

About 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide

6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 46495926) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
PubChem CID46495926
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
SMILESC/C(=N/NC(=O)c1ccc(C)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21N3O/c1-13-7-8-18(12-20-13)19(23)22-21-14(2)16-10-9-15-5-3-4-6-17(15)11-16/h7-12H,3-6H2,1-2H3,(H,22,23)/b21-14-
InChIKeyQSCFWXVIQIDDBN-STZFKDTASA-N
XLogP3.42
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide (CID 46495926) is 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide is C/C(=N/NC(=O)c1ccc(C)nc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is QSCFWXVIQIDDBN-STZFKDTASA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-7-8-18(12-20-13)19(23)22-21-14(2)16-10-9-15-5-3-4-6-17(15)11-16/h7-12H,3-6H2,1-2H3,(H,22,23)/b21-14-.
What are the key properties of 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 46495926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).