N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide

C15H19N5O3 — CID 167755789

IUPACN-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C15H19N5O3/c1-10-13(17-18-16-10)15(22)19(2)9-11-5-3-7-20(11)14(21)12-6-4-8-23-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyQTPTZHWZJLOXPL-LLVKDONJSA-N
MW317.35 g/mol
LogP1.08
Rot. Bonds4

About N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide

N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide (PubChem CID 167755789) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide
PubChem CID167755789
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C15H19N5O3/c1-10-13(17-18-16-10)15(22)19(2)9-11-5-3-7-20(11)14(21)12-6-4-8-23-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,17,18)/t11-/m1/s1
InChIKeyQTPTZHWZJLOXPL-LLVKDONJSA-N
XLogP1.08
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]furan-2-carboxamide
CID 79313317
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 155881609
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]-methylamino]propanoic acid
CID 119232964

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide (CID 167755789) is N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide?
The InChIKey is QTPTZHWZJLOXPL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-13(17-18-16-10)15(22)19(2)9-11-5-3-7-20(11)14(21)12-6-4-8-23-12/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide?
N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 167755789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).