6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide

C20H22N8O4 — CID 176564053

IUPAC6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncnc(N2CC3(CC(=O)CO3)C2)n1
InChIInChI=1S/C20H22N8O4/c1-21-17(31)13-6-22-15(26-16(30)11-2-3-11)4-14(13)25-18-23-10-24-19(27-18)28-8-20(9-28)5-12(29)7-32-20/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,21,31)(H2,22,23,24,25,26,27,30)
InChIKeyBNRJCQNZZPAXPU-UHFFFAOYSA-N
MW438.45 g/mol
LogP0.27
Rot. Bonds6

About 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide (PubChem CID 176564053) has the molecular formula C20H22N8O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
PubChem CID176564053
Molecular FormulaC20H22N8O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC Name6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncnc(N2CC3(CC(=O)CO3)C2)n1
InChIInChI=1S/C20H22N8O4/c1-21-17(31)13-6-22-15(26-16(30)11-2-3-11)4-14(13)25-18-23-10-24-19(27-18)28-8-20(9-28)5-12(29)7-32-20/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,21,31)(H2,22,23,24,25,26,27,30)
InChIKeyBNRJCQNZZPAXPU-UHFFFAOYSA-N
XLogP0.27
TPSA151.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide
CID 171437069
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]-N-methylpyridine-3-carboxamide
CID 176564124
2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
CID 177347100
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-methyl-1,5-dihydro-1,2,4-triazol-5-yl)anilino]-N-methylpyridine-3-carboxamide
CID 138645799
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridine-3-carboxamide
CID 164903097
N-methyl-3-[(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-1,3,5-triazin-2-yl)amino]benzamide
CID 127053857
N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 45138398
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-methyl-4,6-bis(methylamino)pyridine-3-carboxamide
CID 118473539
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide (CID 176564053) is 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ncnc(N2CC3(CC(=O)CO3)C2)n1.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is BNRJCQNZZPAXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O4/c1-21-17(31)13-6-22-15(26-16(30)11-2-3-11)4-14(13)25-18-23-10-24-19(27-18)28-8-20(9-28)5-12(29)7-32-20/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,21,31)(H2,22,23,24,25,26,27,30).
What are the key properties of 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-N-methyl-4-[[4-(7-oxo-5-oxa-2-azaspiro[3.4]octan-2-yl)-1,3,5-triazin-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 176564053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).