N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide

C22H25N3O — CID 92883104

IUPACN-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide
SMILESCc1ccc(CN2CC[C@H](CNC(=O)c3cc4ccccn4c3)C2)cc1
InChIInChI=1S/C22H25N3O/c1-17-5-7-18(8-6-17)14-24-11-9-19(15-24)13-23-22(26)20-12-21-4-2-3-10-25(21)16-20/h2-8,10,12,16,19H,9,11,13-15H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyAKQZSYGMOWBUQP-LJQANCHMSA-N
MW347.46 g/mol
LogP3.50
Rot. Bonds5

About N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide

N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide (PubChem CID 92883104) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide
PubChem CID92883104
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide
SMILESCc1ccc(CN2CC[C@H](CNC(=O)c3cc4ccccn4c3)C2)cc1
InChIInChI=1S/C22H25N3O/c1-17-5-7-18(8-6-17)14-24-11-9-19(15-24)13-23-22(26)20-12-21-4-2-3-10-25(21)16-20/h2-8,10,12,16,19H,9,11,13-15H2,1H3,(H,23,26)/t19-/m1/s1
InChIKeyAKQZSYGMOWBUQP-LJQANCHMSA-N
XLogP3.50
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
CID 95065840
N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 95208505
N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide
CID 46388331
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
CID 56707945
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 95204337
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
ethyl 4-[[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methylcarbamoylamino]benzoate
CID 92717407
6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230990
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide?
The IUPAC name of N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide (CID 92883104) is N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide is Cc1ccc(CN2CC[C@H](CNC(=O)c3cc4ccccn4c3)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide?
The InChIKey is AKQZSYGMOWBUQP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O/c1-17-5-7-18(8-6-17)14-24-11-9-19(15-24)13-23-22(26)20-12-21-4-2-3-10-25(21)16-20/h2-8,10,12,16,19H,9,11,13-15H2,1H3,(H,23,26)/t19-/m1/s1.
What are the key properties of N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide?
N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]indolizine-2-carboxamide is sourced from PubChem (CID 92883104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).