(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C17H23N5O3 — CID 124799177

IUPAC(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@@H]1COC2(CN(C(=O)c3ccnnc3)C2)CN1CC1CC1
InChIInChI=1S/C17H23N5O3/c1-18-15(23)14-8-25-17(9-21(14)7-12-2-3-12)10-22(11-17)16(24)13-4-5-19-20-6-13/h4-6,12,14H,2-3,7-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyCGZSFAFDZZUOGV-AWEZNQCLSA-N
MW345.40 g/mol
LogP-0.47
Rot. Bonds4

About (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 124799177) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID124799177
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCNC(=O)[C@@H]1COC2(CN(C(=O)c3ccnnc3)C2)CN1CC1CC1
InChIInChI=1S/C17H23N5O3/c1-18-15(23)14-8-25-17(9-21(14)7-12-2-3-12)10-22(11-17)16(24)13-4-5-19-20-6-13/h4-6,12,14H,2-3,7-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyCGZSFAFDZZUOGV-AWEZNQCLSA-N
XLogP-0.47
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7R)-8-(cyclopropylmethyl)-N-methyl-2-(5-methylpyridine-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124913569
2-(cyclopentene-1-carbonyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131663319
(7S)-8-(cyclopropylmethyl)-2-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124801885
8-(cyclopropylmethyl)-2-(2,5-dimethylfuran-3-carbonyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131661365
2-butanoyl-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693582
8-(cyclopropylmethyl)-N-methyl-2-(pyridin-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131678398
(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124798787
2-(cyclopentylmethyl)-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677325
(7S)-2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124805485
2-[2-(cyclohexen-1-yl)acetyl]-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 133143006
8-(cyclopropylmethyl)-N-methyl-2-(thiophen-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131677509
8-(cyclopropylmethyl)-N-methyl-2-(pyridin-3-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155861445

Frequently Asked Questions

What is the IUPAC name of (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 124799177) is (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)[C@@H]1COC2(CN(C(=O)c3ccnnc3)C2)CN1CC1CC1.
What is the InChIKey of (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is CGZSFAFDZZUOGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-18-15(23)14-8-25-17(9-21(14)7-12-2-3-12)10-22(11-17)16(24)13-4-5-19-20-6-13/h4-6,12,14H,2-3,7-11H2,1H3,(H,18,23)/t14-/m0/s1.
What are the key properties of (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
(7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 345.40 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-8-(cyclopropylmethyl)-N-methyl-2-(pyridazine-4-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 124799177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).