N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide

C23H18F2N4O2 — CID 171501605

IUPACN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(F)ccc1N(Cc1ccc2cc(F)c(N)nc2c1)C(=O)c1cccnc1
InChIInChI=1S/C23H18F2N4O2/c1-31-21-11-17(24)6-7-20(21)29(23(30)16-3-2-8-27-12-16)13-14-4-5-15-10-18(25)22(26)28-19(15)9-14/h2-12H,13H2,1H3,(H2,26,28)
InChIKeyXNQWBEZKTNPTFI-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.35
Rot. Bonds5

About N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide

N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 171501605) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID171501605
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC NameN-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(F)ccc1N(Cc1ccc2cc(F)c(N)nc2c1)C(=O)c1cccnc1
InChIInChI=1S/C23H18F2N4O2/c1-31-21-11-17(24)6-7-20(21)29(23(30)16-3-2-8-27-12-16)13-14-4-5-15-10-18(25)22(26)28-19(15)9-14/h2-12H,13H2,1H3,(H2,26,28)
InChIKeyXNQWBEZKTNPTFI-UHFFFAOYSA-N
XLogP4.35
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide (CID 171501605) is N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide is COc1cc(F)ccc1N(Cc1ccc2cc(F)c(N)nc2c1)C(=O)c1cccnc1.
What is the InChIKey of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is XNQWBEZKTNPTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-31-21-11-17(24)6-7-20(21)29(23(30)16-3-2-8-27-12-16)13-14-4-5-15-10-18(25)22(26)28-19(15)9-14/h2-12H,13H2,1H3,(H2,26,28).
What are the key properties of N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide?
N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-fluoroquinolin-7-yl)methyl]-N-(4-fluoro-2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 171501605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).