N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide

C21H25N3O — CID 95188805

IUPACN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NC[C@H]1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H25N3O/c25-21(13-19-7-3-4-9-22-19)23-14-16-8-10-24(15-16)20-11-17-5-1-2-6-18(17)12-20/h1-7,9,16,20H,8,10-15H2,(H,23,25)/t16-/m1/s1
InChIKeyPMMPQHQANKTTHK-MRXNPFEDSA-N
MW335.45 g/mol
LogP2.23
Rot. Bonds5

About N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 95188805) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide
PubChem CID95188805
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NC[C@H]1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H25N3O/c25-21(13-19-7-3-4-9-22-19)23-14-16-8-10-24(15-16)20-11-17-5-1-2-6-18(17)12-20/h1-7,9,16,20H,8,10-15H2,(H,23,25)/t16-/m1/s1
InChIKeyPMMPQHQANKTTHK-MRXNPFEDSA-N
XLogP2.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
CID 95189282
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130
1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95203939
2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615089
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896080
N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 25287935
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin-2-ylacetamide
CID 110468198
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide (CID 95188805) is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NC[C@H]1CCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is PMMPQHQANKTTHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(13-19-7-3-4-9-22-19)23-14-16-8-10-24(15-16)20-11-17-5-1-2-6-18(17)12-20/h1-7,9,16,20H,8,10-15H2,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide?
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 335.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 95188805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).