N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide

C16H19N3O3 — CID 70757234

IUPACN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H19N3O3/c1-10-5-6-15(22-10)12-8-19(9-14(12)18-11(2)20)16(21)13-4-3-7-17-13/h3-7,12,14,17H,8-9H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyPMLGJARKRSQXEG-TZMCWYRMSA-N
MW301.35 g/mol
LogP1.66
Rot. Bonds3

About N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 70757234) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID70757234
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C16H19N3O3/c1-10-5-6-15(22-10)12-8-19(9-14(12)18-11(2)20)16(21)13-4-3-7-17-13/h3-7,12,14,17H,8-9H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyPMLGJARKRSQXEG-TZMCWYRMSA-N
XLogP1.66
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3770688
4-(cyclopropylcarbonyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1482641
4-(cyclohexylcarbonyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1482729
(7S,8R,11S)-N-hydroxy-8-(2-methylpropyl)-9-oxo-11-(1H-pyrrole-2-carbonyl)-2-oxa-10-azabicyclo[11.2.2]heptadeca-1(15),13,16-triene-7-carboxamide
CID 44339523
4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 3510893
4-(2-ethylbutanoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 4310617
N-[1-(cyclohexylamino)-3-(5-methylfuran-2-yl)-1-oxopropan-2-yl]-N-[3-(diethylamino)propyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 44396377
N-[(2-ethoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 162658725
N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 162662882
N-[(2-methoxyphenyl)methyl]-4-(3-methylbutanoyl)-1H-pyrrole-2-carboxamide
CID 5094270
(3E,12R,13R)-13-propan-2-yl-15-[5-(1H-pyrrol-2-yl)furan-2-yl]-2-azatricyclo[10.2.1.13,14]hexadeca-1(15),3,14(16)-triene
CID 91898882
4-butyryl-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 3793686

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide (CID 70757234) is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is PMLGJARKRSQXEG-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-5-6-15(22-10)12-8-19(9-14(12)18-11(2)20)16(21)13-4-3-7-17-13/h3-7,12,14,17H,8-9H2,1-2H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).