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

C24H19ClN6O — CID 118665238

IUPACN-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)c(C#N)cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClN6O/c1-14-19(8-18(11-26)23(27)31-14)12-30-24(32)16-4-5-28-21(10-16)7-15-2-3-22-17(6-15)9-20(25)13-29-22/h2-6,8-10,13H,7,12H2,1H3,(H2,27,31)(H,30,32)
InChIKeyBSYAUMQSIQHPBV-UHFFFAOYSA-N
MW442.91 g/mol
LogP3.96
Rot. Bonds5

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

N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665238) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665238
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC NameN-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1nc(N)c(C#N)cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClN6O/c1-14-19(8-18(11-26)23(27)31-14)12-30-24(32)16-4-5-28-21(10-16)7-15-2-3-22-17(6-15)9-20(25)13-29-22/h2-6,8-10,13H,7,12H2,1H3,(H2,27,31)(H,30,32)
InChIKeyBSYAUMQSIQHPBV-UHFFFAOYSA-N
XLogP3.96
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665238) is N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1nc(N)c(C#N)cc1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is BSYAUMQSIQHPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-14-19(8-18(11-26)23(27)31-14)12-30-24(32)16-4-5-28-21(10-16)7-15-2-3-22-17(6-15)9-20(25)13-29-22/h2-6,8-10,13H,7,12H2,1H3,(H2,27,31)(H,30,32).
What are the key properties of N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 442.91 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).