2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide

C17H19N5O — CID 111092990

IUPAC2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESN/C(=N\CC(=O)Nc1cccnc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N5O/c18-17(20-11-16(23)21-15-5-2-8-19-10-15)22-14-7-6-12-3-1-4-13(12)9-14/h2,5-10H,1,3-4,11H2,(H,21,23)(H3,18,20,22)
InChIKeyFAVNSKYHIKPXCU-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.94
Rot. Bonds4

About 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide

2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide (PubChem CID 111092990) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
PubChem CID111092990
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESN/C(=N\CC(=O)Nc1cccnc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N5O/c18-17(20-11-16(23)21-15-5-2-8-19-10-15)22-14-7-6-12-3-1-4-13(12)9-14/h2,5-10H,1,3-4,11H2,(H,21,23)(H3,18,20,22)
InChIKeyFAVNSKYHIKPXCU-UHFFFAOYSA-N
XLogP1.94
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089429
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-[[amino-(cyclopentylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 119121150
2-[[amino-(4-butan-2-ylanilino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111092938
N-[3-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111077114
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413832
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9408124
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
CID 3213439
3-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(4-bromophenyl)propanamide;hydroiodide
CID 111076898
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]guanidine
CID 111812489

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide (CID 111092990) is 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide is N/C(=N\CC(=O)Nc1cccnc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The InChIKey is FAVNSKYHIKPXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-17(20-11-16(23)21-15-5-2-8-19-10-15)22-14-7-6-12-3-1-4-13(12)9-14/h2,5-10H,1,3-4,11H2,(H,21,23)(H3,18,20,22).
What are the key properties of 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide has a molecular weight of 309.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 111092990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).