N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide

C12H18N2O2 — CID 79313317

IUPACN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-13-7-3-5-10(13)9-14(2)12(15)11-6-4-8-16-11/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyPZTRDRQDSYAQRT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.45
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide (PubChem CID 79313317) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
PubChem CID79313317
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
SMILESCN(CC1CCCN1C)C(=O)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-13-7-3-5-10(13)9-14(2)12(15)11-6-4-8-16-11/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyPZTRDRQDSYAQRT-UHFFFAOYSA-N
XLogP1.45
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645
3-benzyl-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]urea
CID 107653183
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 79319888
2-fluoro-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 81480578
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56713380
N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide
CID 167755789
2-(2-hydroxyphenyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 80741271
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide (CID 79313317) is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide is CN(CC1CCCN1C)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
The InChIKey is PZTRDRQDSYAQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-7-3-5-10(13)9-14(2)12(15)11-6-4-8-16-11/h4,6,8,10H,3,5,7,9H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide?
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 79313317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).