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

C18H15N5O2 — CID 170627217

IUPACN-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3ccccc3o2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C18H15N5O2/c1-10(24)22-16-7-11-12(8-20-16)17(19-2)21-9-13(11)18-23-14-5-3-4-6-15(14)25-18/h3-9H,1-2H3,(H,19,21)(H,20,22,24)/i2D3
InChIKeyYCJCMRFLDOTWHZ-BMSJAHLVSA-N
MW336.37 g/mol
LogP3.44
Rot. Bonds4

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

N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide (PubChem CID 170627217) has the molecular formula C18H15N5O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide
PubChem CID170627217
Molecular FormulaC18H15N5O2
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide
SMILES[2H]C([2H])([2H])Nc1ncc(-c2nc3ccccc3o2)c2cc(NC(C)=O)ncc12
InChIInChI=1S/C18H15N5O2/c1-10(24)22-16-7-11-12(8-20-16)17(19-2)21-9-13(11)18-23-14-5-3-4-6-15(14)25-18/h3-9H,1-2H3,(H,19,21)(H,20,22,24)/i2D3
InChIKeyYCJCMRFLDOTWHZ-BMSJAHLVSA-N
XLogP3.44
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]propanamide
CID 170627430
N-[5-(5-bromo-1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627187
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
4-[5-(trideuteriomethoxy)-1,3-benzoxazol-2-yl]-1-N-(trideuteriomethyl)-2,7-naphthyridine-1,6-diamine
CID 170627055
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779
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-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626515
trans-(1R,2S)-2-(hydroxymethyl)-N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 170626862
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
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide (CID 170627217) is N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide is [2H]C([2H])([2H])Nc1ncc(-c2nc3ccccc3o2)c2cc(NC(C)=O)ncc12.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide?
The InChIKey is YCJCMRFLDOTWHZ-BMSJAHLVSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-10(24)22-16-7-11-12(8-20-16)17(19-2)21-9-13(11)18-23-14-5-3-4-6-15(14)25-18/h3-9H,1-2H3,(H,19,21)(H,20,22,24)/i2D3.
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide?
N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide has a molecular weight of 336.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-8-(trideuteriomethylamino)-2,7-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 170627217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).