N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

C23H19ClFN5O — CID 118665235

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1
InChIInChI=1S/C23H19ClFN5O/c1-13-16(3-5-21(26)30-13)11-29-23(31)15-6-7-27-18(9-15)8-14-2-4-20-19(22(14)25)10-17(24)12-28-20/h2-7,9-10,12H,8,11H2,1H3,(H2,26,30)(H,29,31)
InChIKeyCMOKBXIVBITBDZ-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.23
Rot. Bonds5

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665235) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665235
Molecular FormulaC23H19ClFN5O
Molecular Weight435.89 g/mol
Exact Mass435.13
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1
InChIInChI=1S/C23H19ClFN5O/c1-13-16(3-5-21(26)30-13)11-29-23(31)15-6-7-27-18(9-15)8-14-2-4-20-19(22(14)25)10-17(24)12-28-20/h2-7,9-10,12H,8,11H2,1H3,(H2,26,30)(H,29,31)
InChIKeyCMOKBXIVBITBDZ-UHFFFAOYSA-N
XLogP4.23
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.23
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-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665235) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is CMOKBXIVBITBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O/c1-13-16(3-5-21(26)30-13)11-29-23(31)15-6-7-27-18(9-15)8-14-2-4-20-19(22(14)25)10-17(24)12-28-20/h2-7,9-10,12H,8,11H2,1H3,(H2,26,30)(H,29,31).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 4.23, 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-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).