N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide

C15H14N4O — CID 168874969

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C1\CCCc2cccnc21)c1cccnc1
InChIInChI=1S/C15H14N4O/c20-15(12-6-2-8-16-10-12)19-18-13-7-1-4-11-5-3-9-17-14(11)13/h2-3,5-6,8-10H,1,4,7H2,(H,19,20)/b18-13+
InChIKeyDXUCBDZYOQNOKN-QGOAFFKASA-N
MW266.30 g/mol
LogP1.95
Rot. Bonds2

About N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide (PubChem CID 168874969) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
PubChem CID168874969
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C1\CCCc2cccnc21)c1cccnc1
InChIInChI=1S/C15H14N4O/c20-15(12-6-2-8-16-10-12)19-18-13-7-1-4-11-5-3-9-17-14(11)13/h2-3,5-6,8-10H,1,4,7H2,(H,19,20)/b18-13+
InChIKeyDXUCBDZYOQNOKN-QGOAFFKASA-N
XLogP1.95
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide
CID 164702540
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 162738460
(Z)-3-amino-2-aminosulfanyl-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]but-2-enamide
CID 162738337
N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide
CID 172975110
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
CID 44725537
N-[(4-methylcyclohexylidene)amino]pyridine-3-carboxamide
CID 4124153
N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]pyridine-3-carboxamide
CID 9059815
N-[(E)-[3-methyl-2-(phenylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19158498
N-[(E)-[3-methyl-2-[(4-methylphenyl)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19158507
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
N-[(E)-[2-[(4-fluorophenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide
CID 19158511

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide (CID 168874969) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide is O=C(N/N=C1\CCCc2cccnc21)c1cccnc1.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide?
The InChIKey is DXUCBDZYOQNOKN-QGOAFFKASA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(12-6-2-8-16-10-12)19-18-13-7-1-4-11-5-3-9-17-14(11)13/h2-3,5-6,8-10H,1,4,7H2,(H,19,20)/b18-13+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 168874969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).