7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide

C22H19Br2N7O — CID 156830419

IUPAC7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc(CN(C(=O)c2cnc3nc(N)c(Br)cc3c2)[C@H](C)c2ncccn2)ccc1Br
InChIInChI=1S/C22H19Br2N7O/c1-12-17(23)5-4-16(29-12)11-31(13(2)20-26-6-3-7-27-20)22(32)15-8-14-9-18(24)19(25)30-21(14)28-10-15/h3-10,13H,11H2,1-2H3,(H2,25,28,30)/t13-/m1/s1
InChIKeyDQNUJNXAROHPIT-CYBMUJFWSA-N
MW557.25 g/mol
LogP4.63
Rot. Bonds5

About 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide

7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 156830419) has the molecular formula C22H19Br2N7O and a molecular weight of 557.25 g/mol. Its IUPAC name is 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide
PubChem CID156830419
Molecular FormulaC22H19Br2N7O
Molecular Weight557.25 g/mol
Exact Mass555.00
IUPAC Name7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc(CN(C(=O)c2cnc3nc(N)c(Br)cc3c2)[C@H](C)c2ncccn2)ccc1Br
InChIInChI=1S/C22H19Br2N7O/c1-12-17(23)5-4-16(29-12)11-31(13(2)20-26-6-3-7-27-20)22(32)15-8-14-9-18(24)19(25)30-21(14)28-10-15/h3-10,13H,11H2,1-2H3,(H2,25,28,30)/t13-/m1/s1
InChIKeyDQNUJNXAROHPIT-CYBMUJFWSA-N
XLogP4.63
TPSA110.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide (CID 156830419) is 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide is Cc1nc(CN(C(=O)c2cnc3nc(N)c(Br)cc3c2)[C@H](C)c2ncccn2)ccc1Br.
What is the InChIKey of 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is DQNUJNXAROHPIT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H19Br2N7O/c1-12-17(23)5-4-16(29-12)11-31(13(2)20-26-6-3-7-27-20)22(32)15-8-14-9-18(24)19(25)30-21(14)28-10-15/h3-10,13H,11H2,1-2H3,(H2,25,28,30)/t13-/m1/s1.
What are the key properties of 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide?
7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 557.25 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 156830419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).