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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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).