N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide

C18H16N4O — CID 135625915

IUPACN-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C1\CCCc2c1[nH]c1ccccc21)c1ccncc1
InChIInChI=1S/C18H16N4O/c23-18(12-8-10-19-11-9-12)22-21-16-7-3-5-14-13-4-1-2-6-15(13)20-17(14)16/h1-2,4,6,8-11,20H,3,5,7H2,(H,22,23)/b21-16+
InChIKeyPYLIFENYCMGJPF-LTGZKZEYSA-N
MW304.35 g/mol
LogP3.03
Rot. Bonds2

About N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide

N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide (PubChem CID 135625915) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide
PubChem CID135625915
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C1\CCCc2c1[nH]c1ccccc21)c1ccncc1
InChIInChI=1S/C18H16N4O/c23-18(12-8-10-19-11-9-12)22-21-16-7-3-5-14-13-4-1-2-6-15(13)20-17(14)16/h1-2,4,6,8-11,20H,3,5,7H2,(H,22,23)/b21-16+
InChIKeyPYLIFENYCMGJPF-LTGZKZEYSA-N
XLogP3.03
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide
CID 135849252
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
CID 135400453
(8E)-8-(methylhydrazinylidene)-N-pyridin-3-yl-5,6,7,9-tetrahydrocarbazole-3-carboxamide
CID 135465352
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-[(E)-[2-(benzamidocarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-4-carboxamide
CID 19158349
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate
CID 135478085
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate
CID 135478084
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide
CID 1280746
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
3-chloro-N-[(E)-[3-methyl-2-[(pyridine-4-carbonylamino)carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19157523

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide (CID 135625915) is N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide is O=C(N/N=C1\CCCc2c1[nH]c1ccccc21)c1ccncc1.
What is the InChIKey of N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide?
The InChIKey is PYLIFENYCMGJPF-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(12-8-10-19-11-9-12)22-21-16-7-3-5-14-13-4-1-2-6-15(13)20-17(14)16/h1-2,4,6,8-11,20H,3,5,7H2,(H,22,23)/b21-16+.
What are the key properties of N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide?
N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135625915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).