4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine

C19H18ClFN4O — CID 174161437

IUPAC4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
SMILESCOc1cc(Cl)ccc1Nc1cncc(Cc2ccnc(N)c2F)c1C
InChIInChI=1S/C19H18ClFN4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-16(11)25-15-4-3-14(20)8-17(15)26-2/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24)
InChIKeyQPUQCBPWLRLPRD-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.50
Rot. Bonds5

About 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine

4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine (PubChem CID 174161437) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
PubChem CID174161437
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
SMILESCOc1cc(Cl)ccc1Nc1cncc(Cc2ccnc(N)c2F)c1C
InChIInChI=1S/C19H18ClFN4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-16(11)25-15-4-3-14(20)8-17(15)26-2/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24)
InChIKeyQPUQCBPWLRLPRD-UHFFFAOYSA-N
XLogP4.50
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine with MolForge

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Related Compounds

3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
CID 174161470
N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
CID 174161802
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
CID 174161646
6-[[5-[(2-amino-3-fluoro-4-pyridinyl)methyl]-4-methyl-3-pyridinyl]amino]-2-azaspiro[3.3]heptane-2-carbaldehyde
CID 174161718
4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine
CID 174161442
tert-butyl N-[3-fluoro-4-[[5-[2-fluoro-4-(trifluoromethyl)anilino]-4-methyl-3-pyridinyl]methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161497
tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
CID 174161946
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
4-[[2,3-difluoro-4-(2-fluoro-4-iodoanilino)-5-methylphenyl]methyl]-3-fluoropyridin-2-amine
CID 170699959
4-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10038418
4-[[3-(4-chloro-2-fluoroanilino)-2-methylphenyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
CID 174163632
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
CID 177270251

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine (CID 174161437) is 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine is COc1cc(Cl)ccc1Nc1cncc(Cc2ccnc(N)c2F)c1C.
What is the InChIKey of 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
The InChIKey is QPUQCBPWLRLPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-16(11)25-15-4-3-14(20)8-17(15)26-2/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24).
What are the key properties of 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine?
4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine has a molecular weight of 372.83 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 174161437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).