3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide

C17H25N3O — CID 102778235

IUPAC3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H25N3O/c1-13-8-9-18-16(13)17(21)19-15-7-3-2-6-14(15)12-20-10-4-5-11-20/h2-3,6-7,13,16,18H,4-5,8-12H2,1H3,(H,19,21)
InChIKeyYREUSLIEQGKHHH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide

3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 102778235) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID102778235
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C17H25N3O/c1-13-8-9-18-16(13)17(21)19-15-7-3-2-6-14(15)12-20-10-4-5-11-20/h2-3,6-7,13,16,18H,4-5,8-12H2,1H3,(H,19,21)
InChIKeyYREUSLIEQGKHHH-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-propylphenyl)pyrrolidine-2-carboxamide
CID 102777801
(2S,4S)-2-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120644853
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778094
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779465
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110026356
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
(2S,4S)-4-amino-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 131943076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide (CID 102778235) is 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccccc1CN1CCCC1.
What is the InChIKey of 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YREUSLIEQGKHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-8-9-18-16(13)17(21)19-15-7-3-2-6-14(15)12-20-10-4-5-11-20/h2-3,6-7,13,16,18H,4-5,8-12H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide?
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).