N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide

C17H21N7O2 — CID 166320382

IUPACN-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(c1ccc(NC(=O)N2CCCC2c2nn[nH]n2)cc1)C1CC1
InChIInChI=1S/C17H21N7O2/c1-11(25)24(14-8-9-14)13-6-4-12(5-7-13)18-17(26)23-10-2-3-15(23)16-19-21-22-20-16/h4-7,14-15H,2-3,8-10H2,1H3,(H,18,26)(H,19,20,21,22)
InChIKeyXDYDSQGRLRGUSV-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.08
Rot. Bonds4

About N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide

N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 166320382) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID166320382
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(c1ccc(NC(=O)N2CCCC2c2nn[nH]n2)cc1)C1CC1
InChIInChI=1S/C17H21N7O2/c1-11(25)24(14-8-9-14)13-6-4-12(5-7-13)18-17(26)23-10-2-3-15(23)16-19-21-22-20-16/h4-7,14-15H,2-3,8-10H2,1H3,(H,18,26)(H,19,20,21,22)
InChIKeyXDYDSQGRLRGUSV-UHFFFAOYSA-N
XLogP2.08
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide
CID 136546870
(3S,4S)-1-[[4-[acetyl(cyclopropyl)amino]phenyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122094374
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
CID 167805847
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 128996565

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide (CID 166320382) is N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide is CC(=O)N(c1ccc(NC(=O)N2CCCC2c2nn[nH]n2)cc1)C1CC1.
What is the InChIKey of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is XDYDSQGRLRGUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11(25)24(14-8-9-14)13-6-4-12(5-7-13)18-17(26)23-10-2-3-15(23)16-19-21-22-20-16/h4-7,14-15H,2-3,8-10H2,1H3,(H,18,26)(H,19,20,21,22).
What are the key properties of N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(cyclopropyl)amino]phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166320382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).