4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen

C16H18FN7 — CID 144519965

IUPAC4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen
SMILES[H]/N=C/c1cnc(Nc2ncn(C)n2)cc1NCc1ccccc1F.[H][H]
InChIInChI=1S/C16H16FN7.H2/c1-24-10-21-16(23-24)22-15-6-14(12(7-18)9-20-15)19-8-11-4-2-3-5-13(11)17;/h2-7,9-10,18H,8H2,1H3,(H2,19,20,22,23);1H/b18-7+;
InChIKeyJWKXTBTXHVJFFH-CWSPIBBISA-N
MW327.37 g/mol
LogP2.95
Rot. Bonds6

About 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen

4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen (PubChem CID 144519965) has the molecular formula C16H18FN7 and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen
PubChem CID144519965
Molecular FormulaC16H18FN7
Molecular Weight327.37 g/mol
Exact Mass327.16
IUPAC Name4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen
SMILES[H]/N=C/c1cnc(Nc2ncn(C)n2)cc1NCc1ccccc1F.[H][H]
InChIInChI=1S/C16H16FN7.H2/c1-24-10-21-16(23-24)22-15-6-14(12(7-18)9-20-15)19-8-11-4-2-3-5-13(11)17;/h2-7,9-10,18H,8H2,1H3,(H2,19,20,22,23);1H/b18-7+;
InChIKeyJWKXTBTXHVJFFH-CWSPIBBISA-N
XLogP2.95
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-pyridin-2-ylpyridine-2,4-diamine
CID 144519992
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-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 144519989
4-N-[(2,5-difluorophenyl)methyl]-5-methanimidoyl-2-N-(3-methyl-1,2-thiazol-5-yl)pyridine-2,4-diamine
CID 144519964
4-[(2-fluorophenyl)methyl]-N-(1-methyl-1,2,4-triazol-3-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 123466176
4-N-[(3-amino-5-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methylpyrazol-4-yl)pyridine-2,4-diamine
CID 144519987
4-[4-[(2-fluorophenyl)methylamino]-3-methanimidoyl-2-oxo-1-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 177004350
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949798
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
CID 56969798
N-[(2-fluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 792668

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen?
The IUPAC name of 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) is 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen is [H]/N=C/c1cnc(Nc2ncn(C)n2)cc1NCc1ccccc1F.[H][H].
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen?
The InChIKey is JWKXTBTXHVJFFH-CWSPIBBISA-N. The full InChI is InChI=1S/C16H16FN7.H2/c1-24-10-21-16(23-24)22-15-6-14(12(7-18)9-20-15)19-8-11-4-2-3-5-13(11)17;/h2-7,9-10,18H,8H2,1H3,(H2,19,20,22,23);1H/b18-7+;.
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen?
4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen has a molecular weight of 327.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-5-methanimidoyl-2-N-(1-methyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine;molecular hydrogen is sourced from PubChem (CID 144519965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).