1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide

C16H21N7O3 — CID 166336725

IUPAC1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccc(=O)n(Cc2nn[nH]n2)c1
InChIInChI=1S/C16H21N7O3/c1-10(2)16(26)23-7-3-4-12(23)15(25)17-11-5-6-14(24)22(8-11)9-13-18-20-21-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,25)(H,18,19,20,21)
InChIKeyXDRZTHPBNYDGHK-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.00
Rot. Bonds5

About 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide

1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 166336725) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID166336725
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccc(=O)n(Cc2nn[nH]n2)c1
InChIInChI=1S/C16H21N7O3/c1-10(2)16(26)23-7-3-4-12(23)15(25)17-11-5-6-14(24)22(8-11)9-13-18-20-21-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,25)(H,18,19,20,21)
InChIKeyXDRZTHPBNYDGHK-UHFFFAOYSA-N
XLogP-0.00
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(diethylamino)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527411
(2S)-1-N-propan-2-yl-2-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 122137912
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
CID 60527303
1-(2-methylpropanoyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 55875608
1-(2-methylpropanoyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-2-carboxamide
CID 86872705
(2R)-N-[4-(azepan-1-yl)phenyl]-1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 94621419
(2S)-1-(2-methylpropanoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-2-carboxamide
CID 94589763
(2S)-N-(6-oxo-1-propyl-3-pyridinyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51960189
N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55874024
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527240

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide (CID 166336725) is 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCCC1C(=O)Nc1ccc(=O)n(Cc2nn[nH]n2)c1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is XDRZTHPBNYDGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-10(2)16(26)23-7-3-4-12(23)15(25)17-11-5-6-14(24)22(8-11)9-13-18-20-21-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,25)(H,18,19,20,21).
What are the key properties of 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide?
1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[6-oxo-1-(2H-tetrazol-5-ylmethyl)-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166336725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).