2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C22H25N5O3 — CID 134070068

IUPAC2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCN1CC2(CC1=O)CN(C(=O)Nc1ccccc1)CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C22H25N5O3/c1-25-14-22(13-19(25)28)15-26(20(29)17-7-9-23-10-8-17)11-12-27(16-22)21(30)24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,24,30)
InChIKeyKMCJPAKGGYRKSF-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.92
Rot. Bonds2

About 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 134070068) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID134070068
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCN1CC2(CC1=O)CN(C(=O)Nc1ccccc1)CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C22H25N5O3/c1-25-14-22(13-19(25)28)15-26(20(29)17-7-9-23-10-8-17)11-12-27(16-22)21(30)24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,24,30)
InChIKeyKMCJPAKGGYRKSF-UHFFFAOYSA-N
XLogP1.92
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide with MolForge

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Related Compounds

(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
(5S)-2-methyl-7-(3-methylbutanoyl)-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 98634691
7-benzoyl-N,N,2-trimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070067
(5S)-7-N-(4-chlorophenyl)-2-methyl-3-oxo-10-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97439023
N-(3-methoxyphenyl)-2-methyl-10-methylsulfonyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131639855
(5R)-2-methyl-3-oxo-N-propan-2-yl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360137
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009
10-(cyclopropylmethyl)-2-ethyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131647730
(5R)-2-ethyl-3-oxo-N-phenyl-10-(thiophen-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 97360284
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438924

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 134070068) is 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is CN1CC2(CC1=O)CN(C(=O)Nc1ccccc1)CCN(C(=O)c1ccncc1)C2.
What is the InChIKey of 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is KMCJPAKGGYRKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-25-14-22(13-19(25)28)15-26(20(29)17-7-9-23-10-8-17)11-12-27(16-22)21(30)24-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,24,30).
What are the key properties of 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 134070068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).