(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C20H27N7O2 — CID 51960803

IUPAC(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H27N7O2/c1-26-18(23-24-25-26)14-7-5-10-16(13-14)21-19(28)17-11-6-12-27(17)20(29)22-15-8-3-2-4-9-15/h5,7,10,13,15,17H,2-4,6,8-9,11-12H2,1H3,(H,21,28)(H,22,29)/t17-/m0/s1
InChIKeyHXZJUCXPZDMQJK-KRWDZBQOSA-N
MW397.48 g/mol
LogP2.32
Rot. Bonds4

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

(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 51960803) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID51960803
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H27N7O2/c1-26-18(23-24-25-26)14-7-5-10-16(13-14)21-19(28)17-11-6-12-27(17)20(29)22-15-8-3-2-4-9-15/h5,7,10,13,15,17H,2-4,6,8-9,11-12H2,1H3,(H,21,28)(H,22,29)/t17-/m0/s1
InChIKeyHXZJUCXPZDMQJK-KRWDZBQOSA-N
XLogP2.32
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 75909705
1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
(2R)-1-N-cyclohexyl-2-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468740
N-[3-(1-methyltetrazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276450
N-[3-(1-methyltetrazol-5-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46422022
1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
CID 32977217
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
tert-butyl 4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 55808806
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
(1R,2S,4S)-N-[3-(1-methyltetrazol-5-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98341302

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 51960803) is (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide is Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)c1.
What is the InChIKey of (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is HXZJUCXPZDMQJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-26-18(23-24-25-26)14-7-5-10-16(13-14)21-19(28)17-11-6-12-27(17)20(29)22-15-8-3-2-4-9-15/h5,7,10,13,15,17H,2-4,6,8-9,11-12H2,1H3,(H,21,28)(H,22,29)/t17-/m0/s1.
What are the key properties of (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-cyclohexyl-2-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 51960803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).