N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C20H16BrN5O2 — CID 170627187

IUPACN-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3cc(Br)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C20H16BrN5O2/c1-22-18-13-8-23-17(26-19(27)10-2-3-10)7-12(13)14(9-24-18)20-25-15-6-11(21)4-5-16(15)28-20/h4-10H,2-3H2,1H3,(H,22,24)(H,23,26,27)/i1D3
InChIKeyRVRKUPMWBOXJDU-FIBGUPNXSA-N
MW441.30 g/mol
LogP4.59
Rot. Bonds5

About N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170627187) has the molecular formula C20H16BrN5O2 and a molecular weight of 441.30 g/mol. Its IUPAC name is N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170627187
Molecular FormulaC20H16BrN5O2
Molecular Weight441.30 g/mol
Exact Mass440.07
IUPAC NameN-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3cc(Br)ccc3o2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C20H16BrN5O2/c1-22-18-13-8-23-17(26-19(27)10-2-3-10)7-12(13)14(9-24-18)20-25-15-6-11(21)4-5-16(15)28-20/h4-10H,2-3H2,1H3,(H,22,24)(H,23,26,27)/i1D3
InChIKeyRVRKUPMWBOXJDU-FIBGUPNXSA-N
XLogP4.59
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[5-(3-methoxyazetidin-1-yl)-1,3-benzoxazol-2-yl]-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627093
N-[5-(5-amino-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626703
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779
2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-N-(cyclopropylmethyl)-1,3-benzoxazole-5-carboxamide
CID 170677758
N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide
CID 170627217
N-[5-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678127
(2S)-1-[2-[6-(cyclopropanecarbonylamino)-1-(methylamino)-2,7-naphthyridin-4-yl]-1,3-benzoxazol-5-yl]azetidine-2-carboxamide
CID 170626807
N-[5-[5-[(2R)-1-methoxypropan-2-yl]oxy-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627056
N-[5-[5-[(2S)-2-cyanoazetidin-1-yl]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626716
N-[5-[5-[(2S)-2-methoxypropoxy]-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627057
N-[8-(methylamino)-5-[5-(3-methyloxan-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627478
N-[5-[5-(3-methoxypyrrolidin-1-yl)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174204243

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170627187) is N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is [2H]C([2H])([2H])Nc1ncc(-c2nc3cc(Br)ccc3o2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is RVRKUPMWBOXJDU-FIBGUPNXSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c1-22-18-13-8-23-17(26-19(27)10-2-3-10)7-12(13)14(9-24-18)20-25-15-6-11(21)4-5-16(15)28-20/h4-10H,2-3H2,1H3,(H,22,24)(H,23,26,27)/i1D3.
What are the key properties of N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 441.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170627187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).