N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

C24H21ClFN5O — CID 118665263

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClFN5O/c1-13-5-22(27)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(26)8-15/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)
InChIKeyNJQUWZKNWYIFOW-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.54
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665263) has the molecular formula C24H21ClFN5O and a molecular weight of 449.92 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665263
Molecular FormulaC24H21ClFN5O
Molecular Weight449.92 g/mol
Exact Mass449.14
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H21ClFN5O/c1-13-5-22(27)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(26)8-15/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32)
InChIKeyNJQUWZKNWYIFOW-UHFFFAOYSA-N
XLogP4.54
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.54
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-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665263) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is NJQUWZKNWYIFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O/c1-13-5-22(27)31-14(2)20(13)12-30-24(32)16-3-4-28-19(10-16)7-15-6-17-9-18(25)11-29-23(17)21(26)8-15/h3-6,8-11H,7,12H2,1-2H3,(H2,27,31)(H,30,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 449.92 g/mol, XLogP of 4.54, 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-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).