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

C24H21ClFN5O — CID 118665170

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1
InChIInChI=1S/C24H21ClFN5O/c1-13-7-22(27)31-14(2)20(13)12-30-24(32)16-5-6-28-18(9-16)8-15-3-4-21-19(23(15)26)10-17(25)11-29-21/h3-7,9-11H,8,12H2,1-2H3,(H2,27,31)(H,30,32)
InChIKeyMDLFAZWEMPYOEY-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.54
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665170) 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-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665170
Molecular FormulaC24H21ClFN5O
Molecular Weight449.92 g/mol
Exact Mass449.14
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1
InChIInChI=1S/C24H21ClFN5O/c1-13-7-22(27)31-14(2)20(13)12-30-24(32)16-5-6-28-18(9-16)8-15-3-4-21-19(23(15)26)10-17(25)11-29-21/h3-7,9-11H,8,12H2,1-2H3,(H2,27,31)(H,30,32)
InChIKeyMDLFAZWEMPYOEY-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-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665170) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-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-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2F)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is MDLFAZWEMPYOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O/c1-13-7-22(27)31-14(2)20(13)12-30-24(32)16-5-6-28-18(9-16)8-15-3-4-21-19(23(15)26)10-17(25)11-29-21/h3-7,9-11H,8,12H2,1-2H3,(H2,27,31)(H,30,32).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-5-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-5-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).