N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine

C35H33Br2Cl2N9O — CID 158915530

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cnc3cn2)c1.Cc1ncc(Cl)cc1Br.Cc1ncc(N)cc1Br
InChIInChI=1S/C23H21ClN6O.C6H5BrClN.C6H7BrN2/c1-13-5-22(25)30-14(2)20(13)11-29-23(31)15-3-4-26-18(7-15)9-19-8-16-6-17(24)10-28-21(16)12-27-19;2*1-4-6(7)2-5(8)3-9-4/h3-8,10,12H,9,11H2,1-2H3,(H2,25,30)(H,29,31);2-3H,1H3;2-3H,8H2,1H3
InChIKeyJHEJWOXBTBSGRR-UHFFFAOYSA-N
MW826.42 g/mol
LogP8.33
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine (PubChem CID 158915530) has the molecular formula C35H33Br2Cl2N9O and a molecular weight of 826.42 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine
PubChem CID158915530
Molecular FormulaC35H33Br2Cl2N9O
Molecular Weight826.42 g/mol
Exact Mass823.06
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cnc3cn2)c1.Cc1ncc(Cl)cc1Br.Cc1ncc(N)cc1Br
InChIInChI=1S/C23H21ClN6O.C6H5BrClN.C6H7BrN2/c1-13-5-22(25)30-14(2)20(13)11-29-23(31)15-3-4-26-18(7-15)9-19-8-16-6-17(24)10-28-21(16)12-27-19;2*1-4-6(7)2-5(8)3-9-4/h3-8,10,12H,9,11H2,1-2H3,(H2,25,30)(H,29,31);2-3H,1H3;2-3H,8H2,1H3
InChIKeyJHEJWOXBTBSGRR-UHFFFAOYSA-N
XLogP8.33
TPSA158.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.42
LogP ≤ 58.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine with MolForge

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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-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine (CID 158915530) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine is Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cnc3cn2)c1.Cc1ncc(Cl)cc1Br.Cc1ncc(N)cc1Br.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine?
The InChIKey is JHEJWOXBTBSGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O.C6H5BrClN.C6H7BrN2/c1-13-5-22(25)30-14(2)20(13)11-29-23(31)15-3-4-26-18(7-15)9-19-8-16-6-17(24)10-28-21(16)12-27-19;2*1-4-6(7)2-5(8)3-9-4/h3-8,10,12H,9,11H2,1-2H3,(H2,25,30)(H,29,31);2-3H,1H3;2-3H,8H2,1H3.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine has a molecular weight of 826.42 g/mol, XLogP of 8.33, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1,7-naphthyridin-6-yl)methyl]pyridine-4-carboxamide;3-bromo-5-chloro-2-methylpyridine;5-bromo-6-methylpyridin-3-amine is sourced from PubChem (CID 158915530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).