4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine

C18H16FN5 — CID 144519992

IUPAC4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2ccccn2)cc1NCc1ccccc1F
InChIInChI=1S/C18H16FN5/c19-15-6-2-1-5-13(15)11-22-16-9-18(23-12-14(16)10-20)24-17-7-3-4-8-21-17/h1-10,12,20H,11H2,(H2,21,22,23,24)/b20-10+
InChIKeyDIDQCFCVDCCSSB-KEBDBYFISA-N
MW321.36 g/mol
LogP3.97
Rot. Bonds6

About 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine

4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine (PubChem CID 144519992) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine
PubChem CID144519992
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine
SMILES[H]/N=C/c1cnc(Nc2ccccn2)cc1NCc1ccccc1F
InChIInChI=1S/C18H16FN5/c19-15-6-2-1-5-13(15)11-22-16-9-18(23-12-14(16)10-20)24-17-7-3-4-8-21-17/h1-10,12,20H,11H2,(H2,21,22,23,24)/b20-10+
InChIKeyDIDQCFCVDCCSSB-KEBDBYFISA-N
XLogP3.97
TPSA73.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(2,2-difluoroethoxy)pyrimidin-4-yl]-4-N-[(2-fluorophenyl)methyl]-5-methanimidoylpyridine-2,4-diamine;molecular hydrogen
CID 144520039
4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen
CID 144519965
4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 144519989
N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
CID 4288141
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine
CID 144519987
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
4-[4-[(2-fluorophenyl)methylamino]-3-methanimidoyl-2-oxo-1-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 177004350
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine (CID 144519992) is 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine is [H]/N=C/c1cnc(Nc2ccccn2)cc1NCc1ccccc1F.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
The InChIKey is DIDQCFCVDCCSSB-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16FN5/c19-15-6-2-1-5-13(15)11-22-16-9-18(23-12-14(16)10-20)24-17-7-3-4-8-21-17/h1-10,12,20H,11H2,(H2,21,22,23,24)/b20-10+.
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine?
4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine has a molecular weight of 321.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine is sourced from PubChem (CID 144519992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).