2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide

C16H23N7O — CID 124749626

IUPAC2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
SMILESCc1ccccc1[C@H]1CCN(CCNC(=O)Cn2nnnc2N)C1
InChIInChI=1S/C16H23N7O/c1-12-4-2-3-5-14(12)13-6-8-22(10-13)9-7-18-15(24)11-23-16(17)19-20-21-23/h2-5,13H,6-11H2,1H3,(H,18,24)(H2,17,19,21)/t13-/m0/s1
InChIKeyAYTYNSLHVCGVAF-ZDUSSCGKSA-N
MW329.41 g/mol
LogP0.17
Rot. Bonds6

About 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide

2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide (PubChem CID 124749626) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
PubChem CID124749626
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
SMILESCc1ccccc1[C@H]1CCN(CCNC(=O)Cn2nnnc2N)C1
InChIInChI=1S/C16H23N7O/c1-12-4-2-3-5-14(12)13-6-8-22(10-13)9-7-18-15(24)11-23-16(17)19-20-21-23/h2-5,13H,6-11H2,1H3,(H,18,24)(H2,17,19,21)/t13-/m0/s1
InChIKeyAYTYNSLHVCGVAF-ZDUSSCGKSA-N
XLogP0.17
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
CID 125180086
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
CID 118791343
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-pyridin-2-ylacetamide
CID 91841060
2-(2-methoxyphenyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749520
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441730
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 126441731
2-(2-hydroxyethyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 126437845
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 97435702
1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
CID 45210939
2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 126450185
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244
2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 72841954

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide (CID 124749626) is 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide is Cc1ccccc1[C@H]1CCN(CCNC(=O)Cn2nnnc2N)C1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is AYTYNSLHVCGVAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12-4-2-3-5-14(12)13-6-8-22(10-13)9-7-18-15(24)11-23-16(17)19-20-21-23/h2-5,13H,6-11H2,1H3,(H,18,24)(H2,17,19,21)/t13-/m0/s1.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide?
2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 329.41 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 124749626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).