3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine

C18H19FN4 — CID 164844353

IUPAC3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine
SMILES[H]/N=C(/c1cc(F)c(Nc2cccc3c2CCC3)nc1N)C1CC1
InChIInChI=1S/C18H19FN4/c19-14-9-13(16(20)11-7-8-11)17(21)23-18(14)22-15-6-2-4-10-3-1-5-12(10)15/h2,4,6,9,11,20H,1,3,5,7-8H2,(H3,21,22,23)/b20-16+
InChIKeyFVJYFMFAGGBCQP-CAPFRKAQSA-N
MW310.38 g/mol
LogP3.81
Rot. Bonds4

About 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine

3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine (PubChem CID 164844353) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine.

Molecular Properties

Compound Name3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine
PubChem CID164844353
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine
SMILES[H]/N=C(/c1cc(F)c(Nc2cccc3c2CCC3)nc1N)C1CC1
InChIInChI=1S/C18H19FN4/c19-14-9-13(16(20)11-7-8-11)17(21)23-18(14)22-15-6-2-4-10-3-1-5-12(10)15/h2,4,6,9,11,20H,1,3,5,7-8H2,(H3,21,22,23)/b20-16+
InChIKeyFVJYFMFAGGBCQP-CAPFRKAQSA-N
XLogP3.81
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-Dimethyl-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 856352
6-N-(2,6-diethylphenyl)-2-N-ethyl-3-fluoropyridine-2,6-diamine
CID 172457585
2-N-(2,6-diethylphenyl)-6-N-ethyl-3-fluoropyridine-2,6-diamine
CID 172459723
(3Z)-N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine
CID 12351943
N-(2,6-diisopropylphenyl)-6-(2,6-dimethylphenyl)pyridine-2-amine
CID 24744414
N-(6-methyl-2-pyridinyl)-3-[(6-methyl-2-pyridinyl)imino]isoindol-1-amine
CID 101767624
6-cyclopropyl-N-(3-fluorophenyl)-4-methylpyridin-2-amine
CID 15767279
N-(2,6-difluorophenyl)-6-(4-fluoro-2-methylphenyl)pyridin-2-amine
CID 21354261
2-[6-[(4-Fluorophenyl)methyl]-2-pyridinyl]-1-phenylguanidine
CID 53671113
6-(5-Fluoro-2-propan-2-ylphenyl)pyridin-2-amine
CID 57867797
2-N-(2-ethyl-4,5-difluorophenyl)-6-N-methyl-5,6,7,8,8a,9-hexahydro-4bH-pyrido[2,3-b]indole-2,6-diamine
CID 68231210
3-(6-fluoro-2,3-dihydro-1H-inden-1-yl)quinoline-2,6-diamine
CID 68640329

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine?
The IUPAC name of 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine (CID 164844353) is 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine.
What is the SMILES notation for 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine?
The canonical SMILES for 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine is [H]/N=C(/c1cc(F)c(Nc2cccc3c2CCC3)nc1N)C1CC1.
What is the InChIKey of 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine?
The InChIKey is FVJYFMFAGGBCQP-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H19FN4/c19-14-9-13(16(20)11-7-8-11)17(21)23-18(14)22-15-6-2-4-10-3-1-5-12(10)15/h2,4,6,9,11,20H,1,3,5,7-8H2,(H3,21,22,23)/b20-16+.
What are the key properties of 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine?
3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine has a molecular weight of 310.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarboximidoyl)-6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoropyridine-2,6-diamine is sourced from PubChem (CID 164844353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).