ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide

C19H26N6O2 — CID 177044599

IUPACethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide
SMILESCC.Cc1cc2c(c(NC(=O)C3CC3)n1)N(C)C1(COC1)c1nn(C)nc1-2
InChIInChI=1S/C17H20N6O2.C2H6/c1-9-6-11-12-14(21-23(3)20-12)17(7-25-8-17)22(2)13(11)15(18-9)19-16(24)10-4-5-10;1-2/h6,10H,4-5,7-8H2,1-3H3,(H,18,19,24);1-2H3
InChIKeyPWNOKMCJCKOCIL-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.24
Rot. Bonds2

About ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide

ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide (PubChem CID 177044599) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide
PubChem CID177044599
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Nameethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide
SMILESCC.Cc1cc2c(c(NC(=O)C3CC3)n1)N(C)C1(COC1)c1nn(C)nc1-2
InChIInChI=1S/C17H20N6O2.C2H6/c1-9-6-11-12-14(21-23(3)20-12)17(7-25-8-17)22(2)13(11)15(18-9)19-16(24)10-4-5-10;1-2/h6,10H,4-5,7-8H2,1-3H3,(H,18,19,24);1-2H3
InChIKeyPWNOKMCJCKOCIL-UHFFFAOYSA-N
XLogP2.24
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,3,3-trideuteriopropanoyl)-4-[(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044555
6-(cyclopropanecarbonylamino)-4-[(2',5'-dimethylspiro[oxetane-3,4'-triazolo[4,5-c]quinoline]-6'-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172615679
N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide
CID 177044868
N-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600341
N-[4-[[(4R)-2,3,4,5,8-pentamethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044532
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044527
N-[5-(5-fluoro-2-methyl-4-pyridinyl)-3-methylpyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 164605683
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(5R)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]pyridazine-3-carboxamide
CID 177044733
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[[(5S)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]pyridazine-3-carboxamide
CID 177044689
6-[[(3R)-oxolan-3-yl]amino]-4-[[(4S)-2,4,5,8-tetramethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177044862
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238
N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide
CID 71940687

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide?
The IUPAC name of ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide (CID 177044599) is ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide.
What is the SMILES notation for ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide?
The canonical SMILES for ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide is CC.Cc1cc2c(c(NC(=O)C3CC3)n1)N(C)C1(COC1)c1nn(C)nc1-2.
What is the InChIKey of ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide?
The InChIKey is PWNOKMCJCKOCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.C2H6/c1-9-6-11-12-14(21-23(3)20-12)17(7-25-8-17)22(2)13(11)15(18-9)19-16(24)10-4-5-10;1-2/h6,10H,4-5,7-8H2,1-3H3,(H,18,19,24);1-2H3.
What are the key properties of ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide?
ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2',5',8'-trimethylspiro[oxetane-3,4'-triazolo[4,5-c][1,7]naphthyridine]-6'-yl)cyclopropanecarboxamide is sourced from PubChem (CID 177044599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).