1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C21H31N5O2 — CID 127249263

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2N(C)C)C1
InChIInChI=1S/C21H31N5O2/c1-15(2)18-11-17(28-24-18)12-21(20(27)22-3)8-10-26(14-21)13-16-7-6-9-23-19(16)25(4)5/h6-7,9,11,15H,8,10,12-14H2,1-5H3,(H,22,27)
InChIKeyMFQQWTGJNPFDOC-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.44
Rot. Bonds7

About 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 127249263) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID127249263
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2N(C)C)C1
InChIInChI=1S/C21H31N5O2/c1-15(2)18-11-17(28-24-18)12-21(20(27)22-3)8-10-26(14-21)13-16-7-6-9-23-19(16)25(4)5/h6-7,9,11,15H,8,10,12-14H2,1-5H3,(H,22,27)
InChIKeyMFQQWTGJNPFDOC-UHFFFAOYSA-N
XLogP2.44
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 127249263) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cc(C(C)C)no2)CCN(Cc2cccnc2N(C)C)C1.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is MFQQWTGJNPFDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15(2)18-11-17(28-24-18)12-21(20(27)22-3)8-10-26(14-21)13-16-7-6-9-23-19(16)25(4)5/h6-7,9,11,15H,8,10,12-14H2,1-5H3,(H,22,27).
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 127249263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).