N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

C19H13BrClN5O2Se — CID 177342579

IUPACN-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ccc(Br)nc2[se]1
InChIInChI=1S/C19H13BrClN5O2Se/c1-9-5-10(11-6-16(21)23-8-14(11)28-2)12(7-22-9)17(27)26-19-24-13-3-4-15(20)25-18(13)29-19/h3-8H,1-2H3,(H,24,26,27)
InChIKeyZAQDQPLIBBUKMZ-UHFFFAOYSA-N
MW537.66 g/mol
LogP4.13
Rot. Bonds4

About N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 177342579) has the molecular formula C19H13BrClN5O2Se and a molecular weight of 537.66 g/mol. Its IUPAC name is N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
PubChem CID177342579
Molecular FormulaC19H13BrClN5O2Se
Molecular Weight537.66 g/mol
Exact Mass536.91
IUPAC NameN-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ccc(Br)nc2[se]1
InChIInChI=1S/C19H13BrClN5O2Se/c1-9-5-10(11-6-16(21)23-8-14(11)28-2)12(7-22-9)17(27)26-19-24-13-3-4-15(20)25-18(13)29-19/h3-8H,1-2H3,(H,24,26,27)
InChIKeyZAQDQPLIBBUKMZ-UHFFFAOYSA-N
XLogP4.13
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 177342579) is N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ccc(Br)nc2[se]1.
What is the InChIKey of N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
The InChIKey is ZAQDQPLIBBUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClN5O2Se/c1-9-5-10(11-6-16(21)23-8-14(11)28-2)12(7-22-9)17(27)26-19-24-13-3-4-15(20)25-18(13)29-19/h3-8H,1-2H3,(H,24,26,27).
What are the key properties of N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?
N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 537.66 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-[1,3]selenazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 177342579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).