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

C24H19ClN6O — CID 118665126

IUPACN-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClN6O/c1-14-4-22(27)29-11-19(14)12-31-24(32)16-2-3-28-21(9-16)7-15-5-17-8-20(25)13-30-23(17)18(6-15)10-26/h2-6,8-9,11,13H,7,12H2,1H3,(H2,27,29)(H,31,32)
InChIKeyWNDNOSDBRCNUAW-UHFFFAOYSA-N
MW442.91 g/mol
LogP3.96
Rot. Bonds5

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

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118665126) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide
PubChem CID118665126
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC NameN-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C24H19ClN6O/c1-14-4-22(27)29-11-19(14)12-31-24(32)16-2-3-28-21(9-16)7-15-5-17-8-20(25)13-30-23(17)18(6-15)10-26/h2-6,8-9,11,13H,7,12H2,1H3,(H2,27,29)(H,31,32)
InChIKeyWNDNOSDBRCNUAW-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-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118665126) is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cc(N)ncc1CNC(=O)c1ccnc(Cc2cc(C#N)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide?
The InChIKey is WNDNOSDBRCNUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-14-4-22(27)29-11-19(14)12-31-24(32)16-2-3-28-21(9-16)7-15-5-17-8-20(25)13-30-23(17)18(6-15)10-26/h2-6,8-9,11,13H,7,12H2,1H3,(H2,27,29)(H,31,32).
What are the key properties of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide?
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-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-4-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118665126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).