2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

C19H27N3O — CID 128995545

IUPAC2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1CC1C1CC1
InChIInChI=1S/C19H27N3O/c1-21-9-7-15(18(21)14-4-3-8-20-11-14)12-22(2)19(23)17-10-16(17)13-5-6-13/h3-4,8,11,13,15-18H,5-7,9-10,12H2,1-2H3/t15-,16?,17?,18-/m0/s1
InChIKeyBLHOQOHEUHCJIU-BFWZDYSYSA-N
MW313.44 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide

2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 128995545) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID128995545
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1CC1C1CC1
InChIInChI=1S/C19H27N3O/c1-21-9-7-15(18(21)14-4-3-8-20-11-14)12-22(2)19(23)17-10-16(17)13-5-6-13/h3-4,8,11,13,15-18H,5-7,9-10,12H2,1-2H3/t15-,16?,17?,18-/m0/s1
InChIKeyBLHOQOHEUHCJIU-BFWZDYSYSA-N
XLogP2.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129341245
(2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129341244
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 128997680
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
CID 129006575
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
CID 128997530
N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128970240
3-(2-imidazol-1-ylethyl)-1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128970799
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1-benzofuran-3-carboxamide
CID 128972513
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 128971727
1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 129006470
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 128972313

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 128995545) is 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1CC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is BLHOQOHEUHCJIU-BFWZDYSYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21-9-7-15(18(21)14-4-3-8-20-11-14)12-22(2)19(23)17-10-16(17)13-5-6-13/h3-4,8,11,13,15-18H,5-7,9-10,12H2,1-2H3/t15-,16?,17?,18-/m0/s1.
What are the key properties of 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide?
2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 128995545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).