N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide

C46H42Cl2N12O2 — CID 158074461

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cncc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/2C23H21ClN6O/c1-13-5-22(25)29-14(2)19(13)11-28-23(31)21-12-26-10-18(30-21)7-15-3-4-20-16(6-15)8-17(24)9-27-20;1-13-7-21(25)29-14(2)18(13)12-28-23(31)20-5-6-26-22(30-20)9-15-3-4-19-16(8-15)10-17(24)11-27-19/h3-6,8-10,12H,7,11H2,1-2H3,(H2,25,29)(H,28,31);3-8,10-11H,9,12H2,1-2H3,(H2,25,29)(H,28,31)
InChIKeyFMEVUBZELIQKRN-UHFFFAOYSA-N
MW865.83 g/mol
LogP7.59
Rot. Bonds10

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 158074461) has the molecular formula C46H42Cl2N12O2 and a molecular weight of 865.83 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide
PubChem CID158074461
Molecular FormulaC46H42Cl2N12O2
Molecular Weight865.83 g/mol
Exact Mass864.29
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cncc(Cc2ccc3ncc(Cl)cc3c2)n1
InChIInChI=1S/2C23H21ClN6O/c1-13-5-22(25)29-14(2)19(13)11-28-23(31)21-12-26-10-18(30-21)7-15-3-4-20-16(6-15)8-17(24)9-27-20;1-13-7-21(25)29-14(2)18(13)12-28-23(31)20-5-6-26-22(30-20)9-15-3-4-19-16(8-15)10-17(24)11-27-19/h3-6,8-10,12H,7,11H2,1-2H3,(H2,25,29)(H,28,31);3-8,10-11H,9,12H2,1-2H3,(H2,25,29)(H,28,31)
InChIKeyFMEVUBZELIQKRN-UHFFFAOYSA-N
XLogP7.59
TPSA213.36 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.83
LogP ≤ 57.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide
CID 134178616
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-6-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 137052825
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxamide
CID 140929567
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 134178441
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyano-1,2,4-triazole-3-carboxamide
CID 140929552
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 134178435
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-[(3-chloroquinolin-6-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid;deuterio(fluoro)methane
CID 157189587
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid
CID 159164985
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[[3-chloro-8-(hydroxymethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
CID 118665190
5-(aminomethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-amine;N-[[6-amino-2-methyl-4-(trifluoromethyl)-3-pyridinyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;deuterio(fluoro)methane;methane
CID 159581838

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide (CID 158074461) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(N)nc(C)c1CNC(=O)c1cncc(Cc2ccc3ncc(Cl)cc3c2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FMEVUBZELIQKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H21ClN6O/c1-13-5-22(25)29-14(2)19(13)11-28-23(31)21-12-26-10-18(30-21)7-15-3-4-20-16(6-15)8-17(24)9-27-20;1-13-7-21(25)29-14(2)18(13)12-28-23(31)20-5-6-26-22(30-20)9-15-3-4-19-16(8-15)10-17(24)11-27-19/h3-6,8-10,12H,7,11H2,1-2H3,(H2,25,29)(H,28,31);3-8,10-11H,9,12H2,1-2H3,(H2,25,29)(H,28,31).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 865.83 g/mol, XLogP of 7.59, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-6-[(3-chloroquinolin-6-yl)methyl]pyrazine-2-carboxamide;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 158074461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).