(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C18H27N5O3 — CID 97360042

IUPAC(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C18H27N5O3/c1-13(2)20-17(26)23-8-7-22(16(25)14-5-4-6-21(14)3)11-18(12-23)9-15(24)19-10-18/h4-6,13H,7-12H2,1-3H3,(H,19,24)(H,20,26)/t18-/m0/s1
InChIKeyFOSSRNUGYCKOBA-SFHVURJKSA-N
MW361.45 g/mol
LogP0.41
Rot. Bonds2

About (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 97360042) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID97360042
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@]2(CNC(=O)C2)C1
InChIInChI=1S/C18H27N5O3/c1-13(2)20-17(26)23-8-7-22(16(25)14-5-4-6-21(14)3)11-18(12-23)9-15(24)19-10-18/h4-6,13H,7-12H2,1-3H3,(H,19,24)(H,20,26)/t18-/m0/s1
InChIKeyFOSSRNUGYCKOBA-SFHVURJKSA-N
XLogP0.41
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

(5S)-3-oxo-N-propan-2-yl-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360036
(5S)-7-(furan-3-ylmethyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360020
(5S)-3-oxo-N-propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360026
(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97398896
(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438924
(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438905
N-methyl-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 127368537
(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137
(5S)-7-(3-chlorobenzoyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438915
(1-methylpyrrol-2-yl)-[(5S)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235211
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 97360042) is (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CC(C)NC(=O)N1CCN(C(=O)c2cccn2C)C[C@]2(CNC(=O)C2)C1.
What is the InChIKey of (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is FOSSRNUGYCKOBA-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-13(2)20-17(26)23-8-7-22(16(25)14-5-4-6-21(14)3)11-18(12-23)9-15(24)19-10-18/h4-6,13H,7-12H2,1-3H3,(H,19,24)(H,20,26)/t18-/m0/s1.
What are the key properties of (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 97360042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).