N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C23H31N7O — CID 131911686

IUPACN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)C(c5cccnc5)N5CCCC5)(C4)C2)C3)n1
InChIInChI=1S/C23H31N7O/c1-16-26-28-30(27-16)23-12-17-9-18(13-23)11-22(10-17,15-23)25-21(31)20(29-7-2-3-8-29)19-5-4-6-24-14-19/h4-6,14,17-18,20H,2-3,7-13,15H2,1H3,(H,25,31)
InChIKeyZLWBGXVWHJUNLY-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.38
Rot. Bonds5

About N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 131911686) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID131911686
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC NameN-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCc1nnn(C23CC4CC(CC(NC(=O)C(c5cccnc5)N5CCCC5)(C4)C2)C3)n1
InChIInChI=1S/C23H31N7O/c1-16-26-28-30(27-16)23-12-17-9-18(13-23)11-22(10-17,15-23)25-21(31)20(29-7-2-3-8-29)19-5-4-6-24-14-19/h4-6,14,17-18,20H,2-3,7-13,15H2,1H3,(H,25,31)
InChIKeyZLWBGXVWHJUNLY-UHFFFAOYSA-N
XLogP2.38
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]benzamide
CID 122566237
(2S)-N-cyclopentyl-2-[[(5R,7R)-3-(5-methyltetrazol-2-yl)-1-adamantyl]amino]propanamide
CID 98304197
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
CID 131909625
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 134710705
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide
CID 125167230
2-[(5S,7S)-3-(5-methyltetrazol-2-yl)-1-adamantyl]-N-[(2R)-2-morpholin-4-ylpropyl]acetamide
CID 98132763
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74250862
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74240297
(2R)-N-(cyclohexen-1-ylmethyl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97198876
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 131911686) is N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is Cc1nnn(C23CC4CC(CC(NC(=O)C(c5cccnc5)N5CCCC5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZLWBGXVWHJUNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-16-26-28-30(27-16)23-12-17-9-18(13-23)11-22(10-17,15-23)25-21(31)20(29-7-2-3-8-29)19-5-4-6-24-14-19/h4-6,14,17-18,20H,2-3,7-13,15H2,1H3,(H,25,31).
What are the key properties of N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 421.55 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 131911686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).