N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane

C30H28BrN7O4 — CID 159293206

IUPACN-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane
SMILESC.Cc1cc(C(=O)NC2COc3cc(Br)cnc32)ccn1.[C-]#[N+]c1cnc2c(c1)OCC2NC(=O)c1ccnc(C)c1
InChIInChI=1S/C15H12N4O2.C14H12BrN3O2.CH4/c1-9-5-10(3-4-17-9)15(20)19-12-8-21-13-6-11(16-2)7-18-14(12)13;1-8-4-9(2-3-16-8)14(19)18-11-7-20-12-5-10(15)6-17-13(11)12;/h3-7,12H,8H2,1H3,(H,19,20);2-6,11H,7H2,1H3,(H,18,19);1H4
InChIKeyLAJRMEIUMZXLIF-UHFFFAOYSA-N
MW630.50 g/mol
LogP5.25
Rot. Bonds4

About N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane

N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane (PubChem CID 159293206) has the molecular formula C30H28BrN7O4 and a molecular weight of 630.50 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane
PubChem CID159293206
Molecular FormulaC30H28BrN7O4
Molecular Weight630.50 g/mol
Exact Mass629.14
IUPAC NameN-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane
SMILESC.Cc1cc(C(=O)NC2COc3cc(Br)cnc32)ccn1.[C-]#[N+]c1cnc2c(c1)OCC2NC(=O)c1ccnc(C)c1
InChIInChI=1S/C15H12N4O2.C14H12BrN3O2.CH4/c1-9-5-10(3-4-17-9)15(20)19-12-8-21-13-6-11(16-2)7-18-14(12)13;1-8-4-9(2-3-16-8)14(19)18-11-7-20-12-5-10(15)6-17-13(11)12;/h3-7,12H,8H2,1H3,(H,19,20);2-6,11H,7H2,1H3,(H,18,19);1H4
InChIKeyLAJRMEIUMZXLIF-UHFFFAOYSA-N
XLogP5.25
TPSA132.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.50
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane with MolForge

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Related Compounds

N-[6-[(Z)-N'-hydroxycarbamimidoyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide
CID 139331064
2-methyl-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 106753340
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 165396334
methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 162024552
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
N-(2-bromo-5-chloro-3-pyridinyl)-2-methylpyridine-4-carboxamide
CID 112750056
2-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)pyridine-4-carboxamide
CID 166234579
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400
2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 139412582
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 60568914

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane?
The IUPAC name of N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane (CID 159293206) is N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane.
What is the SMILES notation for N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane?
The canonical SMILES for N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane is C.Cc1cc(C(=O)NC2COc3cc(Br)cnc32)ccn1.[C-]#[N+]c1cnc2c(c1)OCC2NC(=O)c1ccnc(C)c1.
What is the InChIKey of N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane?
The InChIKey is LAJRMEIUMZXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2.C14H12BrN3O2.CH4/c1-9-5-10(3-4-17-9)15(20)19-12-8-21-13-6-11(16-2)7-18-14(12)13;1-8-4-9(2-3-16-8)14(19)18-11-7-20-12-5-10(15)6-17-13(11)12;/h3-7,12H,8H2,1H3,(H,19,20);2-6,11H,7H2,1H3,(H,18,19);1H4.
What are the key properties of N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane?
N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane has a molecular weight of 630.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;N-(6-isocyano-2,3-dihydrofuro[3,2-b]pyridin-3-yl)-2-methylpyridine-4-carboxamide;methane is sourced from PubChem (CID 159293206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).