N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide

C23H20FN5O — CID 118212359

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cnc3ccc(F)cc3c2)c1
InChIInChI=1S/C23H20FN5O/c1-14-17(2-5-22(25)29-14)13-28-23(30)16-6-7-26-20(11-16)9-15-8-18-10-19(24)3-4-21(18)27-12-15/h2-8,10-12H,9,13H2,1H3,(H2,25,29)(H,28,30)
InChIKeyHDWJBHJMHHEUTP-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.58
Rot. Bonds5

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 118212359) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID118212359
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cnc3ccc(F)cc3c2)c1
InChIInChI=1S/C23H20FN5O/c1-14-17(2-5-22(25)29-14)13-28-23(30)16-6-7-26-20(11-16)9-15-8-18-10-19(24)3-4-21(18)27-12-15/h2-8,10-12H,9,13H2,1H3,(H2,25,29)(H,28,30)
InChIKeyHDWJBHJMHHEUTP-UHFFFAOYSA-N
XLogP3.58
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide (CID 118212359) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2cnc3ccc(F)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is HDWJBHJMHHEUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-14-17(2-5-22(25)29-14)13-28-23(30)16-6-7-26-20(11-16)9-15-8-18-10-19(24)3-4-21(18)27-12-15/h2-8,10-12H,9,13H2,1H3,(H2,25,29)(H,28,30).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(6-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).