N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide

C14H21N3O — CID 102778094

IUPACN-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C14H21N3O/c1-10-8-9-15-13(10)14(18)16-11-6-4-5-7-12(11)17(2)3/h4-7,10,13,15H,8-9H2,1-3H3,(H,16,18)
InChIKeyLGQDJQMMDQKKKX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.69
Rot. Bonds3

About N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide

N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778094) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102778094
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C14H21N3O/c1-10-8-9-15-13(10)14(18)16-11-6-4-5-7-12(11)17(2)3/h4-7,10,13,15H,8-9H2,1-3H3,(H,16,18)
InChIKeyLGQDJQMMDQKKKX-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
3-methyl-N-(2-propylphenyl)pyrrolidine-2-carboxamide
CID 102777801
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
2-chloro-6-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779465
3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 102778235
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
3-methyl-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 102779438
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-methyl-N-(3-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 102779456
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide (CID 102778094) is N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is LGQDJQMMDQKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-9-15-13(10)14(18)16-11-6-4-5-7-12(11)17(2)3/h4-7,10,13,15H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide?
N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).