N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane

C46H49Cl2N11O3 — CID 157232101

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane
SMILESC.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1.O=C(O)C1=CCC(Cc2ccc3ncc(Cl)cc3c2)=N1
InChIInChI=1S/C22H21ClN6O.C15H11ClN2O2.C8H13N3.CH4/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18;16-11-7-10-5-9(1-3-13(10)17-8-11)6-12-2-4-14(18-12)15(19)20;1-5-3-8(10)11-6(2)7(5)4-9;/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30);1,3-5,7-8H,2,6H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4
InChIKeyAUFKMLVSOARWGZ-UHFFFAOYSA-N
MW874.88 g/mol
LogP8.35
Rot. Bonds9

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane (PubChem CID 157232101) has the molecular formula C46H49Cl2N11O3 and a molecular weight of 874.88 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane
PubChem CID157232101
Molecular FormulaC46H49Cl2N11O3
Molecular Weight874.88 g/mol
Exact Mass873.34
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane
SMILESC.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1.O=C(O)C1=CCC(Cc2ccc3ncc(Cl)cc3c2)=N1
InChIInChI=1S/C22H21ClN6O.C15H11ClN2O2.C8H13N3.CH4/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18;16-11-7-10-5-9(1-3-13(10)17-8-11)6-12-2-4-14(18-12)15(19)20;1-5-3-8(10)11-6(2)7(5)4-9;/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30);1,3-5,7-8H,2,6H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4
InChIKeyAUFKMLVSOARWGZ-UHFFFAOYSA-N
XLogP8.35
TPSA237.06 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500874.88
LogP ≤ 58.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane with MolForge

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Related Compounds

US10301284, Example 28
CID 134177999
US10301284, Example 106
CID 134178120
US10781200, Example 111
CID 134178129
US10301284, Example 41
CID 134178259
US10301284, Example 113
CID 134178350
US10301284, Example 110
CID 134178434
US10301284, Example 5
CID 134178458
US10301284, Example 112
CID 134178616
US10301284, Example 3
CID 134178766
US10301284, Example 111
CID 138658478
US10301284, Example 105
CID 134177927
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide;tert-butyl N-[5-[[[5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate;2,2,2-trifluoroacetaldehyde
CID 159394970

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane (CID 157232101) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane is C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1cnc(Cc2ccc3ncc(Cl)cc3c2)[nH]1.O=C(O)C1=CCC(Cc2ccc3ncc(Cl)cc3c2)=N1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane?
The InChIKey is AUFKMLVSOARWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C15H11ClN2O2.C8H13N3.CH4/c1-12-5-20(24)28-13(2)17(12)10-27-22(30)19-11-26-21(29-19)7-14-3-4-18-15(6-14)8-16(23)9-25-18;16-11-7-10-5-9(1-3-13(10)17-8-11)6-12-2-4-14(18-12)15(19)20;1-5-3-8(10)11-6(2)7(5)4-9;/h3-6,8-9,11H,7,10H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30);1,3-5,7-8H,2,6H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane has a molecular weight of 874.88 g/mol, XLogP of 8.35, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-5-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloroquinolin-6-yl)methyl]-3H-pyrrole-5-carboxylic acid;methane is sourced from PubChem (CID 157232101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).