N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide

C24H22FN5O — CID 118212621

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3cc(F)ccc3c2)c1
InChIInChI=1S/C24H22FN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)18-5-6-27-20(10-18)9-16-8-17-3-4-19(25)11-22(17)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
InChIKeyMWOHJBUVZJQGNX-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.88
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 118212621) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID118212621
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3cc(F)ccc3c2)c1
InChIInChI=1S/C24H22FN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)18-5-6-27-20(10-18)9-16-8-17-3-4-19(25)11-22(17)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
InChIKeyMWOHJBUVZJQGNX-UHFFFAOYSA-N
XLogP3.88
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide (CID 118212621) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cnc3cc(F)ccc3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is MWOHJBUVZJQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)18-5-6-27-20(10-18)9-16-8-17-3-4-19(25)11-22(17)28-12-16/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(7-fluoroquinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).