N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C16H22N4O2 — CID 95570875

IUPACN-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H22N4O2/c1-18(11-14-5-4-8-22-14)16(21)12-20-7-3-6-15(20)13-9-17-19(2)10-13/h4-5,8-10,15H,3,6-7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyDNAAYJOPBMEJTK-HNNXBMFYSA-N
MW302.38 g/mol
LogP1.81
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 95570875) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID95570875
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C16H22N4O2/c1-18(11-14-5-4-8-22-14)16(21)12-20-7-3-6-15(20)13-9-17-19(2)10-13/h4-5,8-10,15H,3,6-7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyDNAAYJOPBMEJTK-HNNXBMFYSA-N
XLogP1.81
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51260677
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-(furan-2-ylmethyl)-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802926
3-(furan-2-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]propanamide
CID 129006514
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 167964277
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201
1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350128
1-methyl-4-[(2R)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350127
N-methyl-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 94453500

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 95570875) is N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is CN(Cc1ccco1)C(=O)CN1CCC[C@H]1c1cnn(C)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is DNAAYJOPBMEJTK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18(11-14-5-4-8-22-14)16(21)12-20-7-3-6-15(20)13-9-17-19(2)10-13/h4-5,8-10,15H,3,6-7,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95570875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).