N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide

C16H15N3O — CID 44725537

IUPACN-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc2c(c1)CCC2)c1cccnc1
InChIInChI=1S/C16H15N3O/c20-16(15-5-2-8-17-11-15)19-18-10-12-6-7-13-3-1-4-14(13)9-12/h2,5-11H,1,3-4H2,(H,19,20)/b18-10+
InChIKeyAEPGWCLQXPDQLL-VCHYOVAHSA-N
MW265.32 g/mol
LogP2.33
Rot. Bonds3

About N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide

N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 44725537) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID44725537
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc2c(c1)CCC2)c1cccnc1
InChIInChI=1S/C16H15N3O/c20-16(15-5-2-8-17-11-15)19-18-10-12-6-7-13-3-1-4-14(13)9-12/h2,5-11H,1,3-4H2,(H,19,20)/b18-10+
InChIKeyAEPGWCLQXPDQLL-VCHYOVAHSA-N
XLogP2.33
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.33
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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Related Compounds

N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-(2,3-dihydro-1H-inden-5-ylmethylideneamino)-4-hydroxybenzamide
CID 4646693
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
N-[(E)-(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)methylideneamino]pyridine-3-carboxamide
CID 133179477
N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 4836900

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide (CID 44725537) is N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc2c(c1)CCC2)c1cccnc1.
What is the InChIKey of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is AEPGWCLQXPDQLL-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(15-5-2-8-17-11-15)19-18-10-12-6-7-13-3-1-4-14(13)9-12/h2,5-11H,1,3-4H2,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide?
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 44725537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).