(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide

C13H16N6O — CID 61177985

IUPAC(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H16N6O/c1-19-12(16-17-18-19)9-4-2-5-10(8-9)15-13(20)11-6-3-7-14-11/h2,4-5,8,11,14H,3,6-7H2,1H3,(H,15,20)/t11-/m0/s1
InChIKeyFRFVENXANLVWRF-NSHDSACASA-N
MW272.31 g/mol
LogP0.57
Rot. Bonds3

About (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 61177985) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID61177985
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN2)c1
InChIInChI=1S/C13H16N6O/c1-19-12(16-17-18-19)9-4-2-5-10(8-9)15-13(20)11-6-3-7-14-11/h2,4-5,8,11,14H,3,6-7H2,1H3,(H,15,20)/t11-/m0/s1
InChIKeyFRFVENXANLVWRF-NSHDSACASA-N
XLogP0.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119293654
N-[3-(1-methyltetrazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276450
(1R,2S,4S)-N-[3-(1-methyltetrazol-5-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98341302
1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119699342
N-[3-(2H-tetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43712968
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270940
(2S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119270942
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119280479

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide (CID 61177985) is (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide is Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is FRFVENXANLVWRF-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N6O/c1-19-12(16-17-18-19)9-4-2-5-10(8-9)15-13(20)11-6-3-7-14-11/h2,4-5,8,11,14H,3,6-7H2,1H3,(H,15,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61177985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).