N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide

C17H24N6O — CID 125180086

IUPACN-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1ccccc1[C@H]1CCN(CCNC(=O)CCn2cnnn2)C1
InChIInChI=1S/C17H24N6O/c1-14-4-2-3-5-16(14)15-6-9-22(12-15)11-8-18-17(24)7-10-23-13-19-20-21-23/h2-5,13,15H,6-12H2,1H3,(H,18,24)/t15-/m0/s1
InChIKeyYMCJWGWYHSEADC-HNNXBMFYSA-N
MW328.42 g/mol
LogP0.98
Rot. Bonds7

About N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide

N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 125180086) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
PubChem CID125180086
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1ccccc1[C@H]1CCN(CCNC(=O)CCn2cnnn2)C1
InChIInChI=1S/C17H24N6O/c1-14-4-2-3-5-16(14)15-6-9-22(12-15)11-8-18-17(24)7-10-23-13-19-20-21-23/h2-5,13,15H,6-12H2,1H3,(H,18,24)/t15-/m0/s1
InChIKeyYMCJWGWYHSEADC-HNNXBMFYSA-N
XLogP0.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide
CID 118791343
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-(5-aminotetrazol-1-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749626
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
CID 97435702
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
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244
2-(2-hydroxyethyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 126437845
2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 72841954
2-(ethylamino)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 97138436
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide (CID 125180086) is N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide is Cc1ccccc1[C@H]1CCN(CCNC(=O)CCn2cnnn2)C1.
What is the InChIKey of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is YMCJWGWYHSEADC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14-4-2-3-5-16(14)15-6-9-22(12-15)11-8-18-17(24)7-10-23-13-19-20-21-23/h2-5,13,15H,6-12H2,1H3,(H,18,24)/t15-/m0/s1.
What are the key properties of N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide?
N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 125180086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).