(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C19H19N7O3 — CID 72862821

IUPAC(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1C(=O)COc1cccnc1
InChIInChI=1S/C19H19N7O3/c27-18(12-29-16-6-2-8-20-11-16)25-9-3-7-17(25)19(28)22-14-4-1-5-15(10-14)26-13-21-23-24-26/h1-2,4-6,8,10-11,13,17H,3,7,9,12H2,(H,22,28)/t17-/m0/s1
InChIKeyQVYJWDXBLYVLFN-KRWDZBQOSA-N
MW393.41 g/mol
LogP1.07
Rot. Bonds6

About (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 72862821) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID72862821
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1C(=O)COc1cccnc1
InChIInChI=1S/C19H19N7O3/c27-18(12-29-16-6-2-8-20-11-16)25-9-3-7-17(25)19(28)22-14-4-1-5-15(10-14)26-13-21-23-24-26/h1-2,4-6,8,10-11,13,17H,3,7,9,12H2,(H,22,28)/t17-/m0/s1
InChIKeyQVYJWDXBLYVLFN-KRWDZBQOSA-N
XLogP1.07
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45246019
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26409028
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 118763560
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
(2S)-1-(2-phenoxyacetyl)-N-[4-[2-[4-[[(2S)-1-(2-phenoxyacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90824752
(2S)-1-[(3-methylsulfanylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26405231
(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91445322
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 72862821) is (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN1C(=O)COc1cccnc1.
What is the InChIKey of (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is QVYJWDXBLYVLFN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N7O3/c27-18(12-29-16-6-2-8-20-11-16)25-9-3-7-17(25)19(28)22-14-4-1-5-15(10-14)26-13-21-23-24-26/h1-2,4-6,8,10-11,13,17H,3,7,9,12H2,(H,22,28)/t17-/m0/s1.
What are the key properties of (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72862821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).