2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid

C19H18N4O2 — CID 14230964

IUPAC2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid
SMILESN#Cc1ccc(N/C(=N\CC(=O)O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C19H18N4O2/c20-11-13-5-8-15(9-6-13)22-19(21-12-18(24)25)23-17-10-7-14-3-1-2-4-16(14)17/h1-6,8-9,17H,7,10,12H2,(H,24,25)(H2,21,22,23)
InChIKeyJZWXBQDAINJAMJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.69
Rot. Bonds4

About 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid

2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid (PubChem CID 14230964) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid
PubChem CID14230964
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid
SMILESN#Cc1ccc(N/C(=N\CC(=O)O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C19H18N4O2/c20-11-13-5-8-15(9-6-13)22-19(21-12-18(24)25)23-17-10-7-14-3-1-2-4-16(14)17/h1-6,8-9,17H,7,10,12H2,(H,24,25)(H2,21,22,23)
InChIKeyJZWXBQDAINJAMJ-UHFFFAOYSA-N
XLogP2.69
TPSA97.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.69
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

4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25467388
3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111347453
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51273832
N-(4-cyanophenyl)-3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanamide
CID 111332264
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-phenylphenyl)urea
CID 3847890
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-cyanobenzoate
CID 2592300
1-(4-butoxyphenyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 5221280
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide
CID 141295964
2,3-dihydro-1H-inden-1-ylcyanamide
CID 62483491
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid?
The IUPAC name of 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid (CID 14230964) is 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid is N#Cc1ccc(N/C(=N\CC(=O)O)NC2CCc3ccccc32)cc1.
What is the InChIKey of 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid?
The InChIKey is JZWXBQDAINJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-11-13-5-8-15(9-6-13)22-19(21-12-18(24)25)23-17-10-7-14-3-1-2-4-16(14)17/h1-6,8-9,17H,7,10,12H2,(H,24,25)(H2,21,22,23).
What are the key properties of 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid?
2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid has a molecular weight of 334.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid is sourced from PubChem (CID 14230964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).