N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

C21H26N4O3 — CID 3234173

IUPACN-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(C(=O)c4cccn4C)CC3)C2)cc1
InChIInChI=1S/C21H26N4O3/c1-23-11-3-4-18(23)19(26)24-12-9-21(10-13-24)14-25(15-21)20(27)22-16-5-7-17(28-2)8-6-16/h3-8,11H,9-10,12-15H2,1-2H3,(H,22,27)
InChIKeyQMRFEJKBPIMZSH-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.80
Rot. Bonds3

About N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 3234173) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID3234173
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC3(CCN(C(=O)c4cccn4C)CC3)C2)cc1
InChIInChI=1S/C21H26N4O3/c1-23-11-3-4-18(23)19(26)24-12-9-21(10-13-24)14-25(15-21)20(27)22-16-5-7-17(28-2)8-6-16/h3-8,11H,9-10,12-15H2,1-2H3,(H,22,27)
InChIKeyQMRFEJKBPIMZSH-UHFFFAOYSA-N
XLogP2.80
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566537
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxamide
CID 10087901
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
N-(4-Ethoxyphenyl)picolinamide
CID 904031
N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2962313
1H-Pyrrole-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9928647
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
1H-Pyrrole-2-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
CID 10405125
1-[4-[2-(Pyrrolidine-1-carbonyl)pyridin-4-yl]oxycyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 60196843
[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233235
[9-[(2-Methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233696

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 3234173) is N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4cccn4C)CC3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is QMRFEJKBPIMZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-23-11-3-4-18(23)19(26)24-12-9-21(10-13-24)14-25(15-21)20(27)22-16-5-7-17(28-2)8-6-16/h3-8,11H,9-10,12-15H2,1-2H3,(H,22,27).
What are the key properties of N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 3234173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).