2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide

C22H30N4O — CID 118791353

IUPAC2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCCC2c2ccc(CN(C)C)cc2)c(C)n1
InChIInChI=1S/C22H30N4O/c1-15-13-16(2)23-17(3)21(15)24-22(27)26-12-6-7-20(26)19-10-8-18(9-11-19)14-25(4)5/h8-11,13,20H,6-7,12,14H2,1-5H3,(H,24,27)
InChIKeyVNORAMBQOSKQBI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.44
Rot. Bonds4

About 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide

2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 118791353) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID118791353
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)N2CCCC2c2ccc(CN(C)C)cc2)c(C)n1
InChIInChI=1S/C22H30N4O/c1-15-13-16(2)23-17(3)21(15)24-22(27)26-12-6-7-20(26)19-10-8-18(9-11-19)14-25(4)5/h8-11,13,20H,6-7,12,14H2,1-5H3,(H,24,27)
InChIKeyVNORAMBQOSKQBI-UHFFFAOYSA-N
XLogP4.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2H-benzotriazol-4-yl)-2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carboxamide
CID 97453689
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87000351
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 70764712
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
1-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]-2-(2H-tetrazol-5-yl)ethanone
CID 56758889
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 154569313
2-(4-chlorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
CID 112834890
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide (CID 118791353) is 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide is Cc1cc(C)c(NC(=O)N2CCCC2c2ccc(CN(C)C)cc2)c(C)n1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is VNORAMBQOSKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15-13-16(2)23-17(3)21(15)24-22(27)26-12-6-7-20(26)19-10-8-18(9-11-19)14-25(4)5/h8-11,13,20H,6-7,12,14H2,1-5H3,(H,24,27).
What are the key properties of 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide?
2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]phenyl]-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118791353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).