5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine

C25H25N5 — CID 142836111

IUPAC5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine
SMILESCNCc1cccnc1.[H]/N=C(\c1ccc2ccccc2c1)c1cc(C=C)cnc1N
InChIInChI=1S/C18H15N3.C7H10N2/c1-2-12-9-16(18(20)21-11-12)17(19)15-8-7-13-5-3-4-6-14(13)10-15;1-8-5-7-3-2-4-9-6-7/h2-11,19H,1H2,(H2,20,21);2-4,6,8H,5H2,1H3/b19-17+;
InChIKeyBSNCFPDTTAHQBO-ZJSKVYKZSA-N
MW395.51 g/mol
LogP4.68
Rot. Bonds5

About 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine

5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 142836111) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine
PubChem CID142836111
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine
SMILESCNCc1cccnc1.[H]/N=C(\c1ccc2ccccc2c1)c1cc(C=C)cnc1N
InChIInChI=1S/C18H15N3.C7H10N2/c1-2-12-9-16(18(20)21-11-12)17(19)15-8-7-13-5-3-4-6-14(13)10-15;1-8-5-7-3-2-4-9-6-7/h2-11,19H,1H2,(H2,20,21);2-4,6,8H,5H2,1H3/b19-17+;
InChIKeyBSNCFPDTTAHQBO-ZJSKVYKZSA-N
XLogP4.68
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine (CID 142836111) is 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine is CNCc1cccnc1.[H]/N=C(\c1ccc2ccccc2c1)c1cc(C=C)cnc1N.
What is the InChIKey of 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is BSNCFPDTTAHQBO-ZJSKVYKZSA-N. The full InChI is InChI=1S/C18H15N3.C7H10N2/c1-2-12-9-16(18(20)21-11-12)17(19)15-8-7-13-5-3-4-6-14(13)10-15;1-8-5-7-3-2-4-9-6-7/h2-11,19H,1H2,(H2,20,21);2-4,6,8H,5H2,1H3/b19-17+;.
What are the key properties of 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine?
5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 395.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(naphthalene-2-carboximidoyl)pyridin-2-amine;N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 142836111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).