2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide

C26H22FN5O — CID 166709843

IUPAC2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)C(C)c3ccccc3F)ccc2nc1N
InChIInChI=1S/C26H22FN5O/c1-16-11-20-12-19(8-10-24(20)31-25(16)29)26(33)32(15-21-9-7-18(13-28)14-30-21)17(2)22-5-3-4-6-23(22)27/h3-12,14,17H,15H2,1-2H3,(H2,29,31)
InChIKeyWYLGCOWNLFCKTE-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.93
Rot. Bonds5

About 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide

2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide (PubChem CID 166709843) has the molecular formula C26H22FN5O and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide
PubChem CID166709843
Molecular FormulaC26H22FN5O
Molecular Weight439.49 g/mol
Exact Mass439.18
IUPAC Name2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide
SMILESCc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)C(C)c3ccccc3F)ccc2nc1N
InChIInChI=1S/C26H22FN5O/c1-16-11-20-12-19(8-10-24(20)31-25(16)29)26(33)32(15-21-9-7-18(13-28)14-30-21)17(2)22-5-3-4-6-23(22)27/h3-12,14,17H,15H2,1-2H3,(H2,29,31)
InChIKeyWYLGCOWNLFCKTE-UHFFFAOYSA-N
XLogP4.93
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide with MolForge

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Related Compounds

2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830557
2-amino-N-[[5-(dimethylcarbamoyl)-2-pyridinyl]methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830049
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(pyrimidin-2-ylmethyl)quinoline-6-carboxamide;cyclopropane
CID 156830078
2-amino-N-[(6-cyanopyridazin-3-yl)methyl]-N-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]-3-methylquinoline-6-carboxamide
CID 156830928
methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate
CID 156830044
2-amino-N-[(4-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830648
2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-(1-pyrimidin-2-ylethyl)quinoline-6-carboxamide
CID 166709785
2-amino-N-[(4-chloro-5-cyano-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830834
2-amino-N-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
CID 156830214
2-amino-3-bromo-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-methoxypropan-2-yl)quinoline-6-carboxamide
CID 166709930
4-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-(1-fluoropropan-2-yl)-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383193
2-amino-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 166710064

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide?
The IUPAC name of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide (CID 166709843) is 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide.
What is the SMILES notation for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide?
The canonical SMILES for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C#N)cn3)C(C)c3ccccc3F)ccc2nc1N.
What is the InChIKey of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide?
The InChIKey is WYLGCOWNLFCKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-16-11-20-12-19(8-10-24(20)31-25(16)29)26(33)32(15-21-9-7-18(13-28)14-30-21)17(2)22-5-3-4-6-23(22)27/h3-12,14,17H,15H2,1-2H3,(H2,29,31).
What are the key properties of 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide?
2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-cyano-2-pyridinyl)methyl]-N-[1-(2-fluorophenyl)ethyl]-3-methylquinoline-6-carboxamide is sourced from PubChem (CID 166709843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).