3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one

C17H22N4O — CID 122180556

IUPAC3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(NC3C[C@H]4CC[C@@H](C3)N4C)c2[nH]c1=O
InChIInChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12?,13-,14+
InChIKeyHBGWEOSHQILMON-AGUYFDCRSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds2

About 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one

3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one (PubChem CID 122180556) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one
PubChem CID122180556
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(NC3C[C@H]4CC[C@@H](C3)N4C)c2[nH]c1=O
InChIInChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12?,13-,14+
InChIKeyHBGWEOSHQILMON-AGUYFDCRSA-N
XLogP2.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
Pyrido-[2,3-d]-pyrimidin-7-one 25
CID 5330268
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CID 5330281
Pyrido-[2,3-d]-pyrimidin-7-one 56
CID 5330299
Pyrido-[2,3-d]-pyrimidin-7-one 57
CID 5330300
Pyrido[2,3-d]pyrimidin-7-one 25
CID 5330352
3-Methyl-5-(5-methylpyridin-3-yl)-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
CID 91827383
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
Dipyridodiazepinone deriv. 7
CID 463136

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one (CID 122180556) is 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one is Cc1cc2ccnc(NC3C[C@H]4CC[C@@H](C3)N4C)c2[nH]c1=O.
What is the InChIKey of 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one?
The InChIKey is HBGWEOSHQILMON-AGUYFDCRSA-N. The full InChI is InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12?,13-,14+.
What are the key properties of 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one?
3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122180556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).