N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide

C12H17N3O3 — CID 119452707

IUPACN-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC1CCNC1
InChIInChI=1S/C12H17N3O3/c1-8(11(16)15-9-4-5-13-7-9)14-12(17)10-3-2-6-18-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyJELKUYHHZUQSGD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.12
Rot. Bonds4

About N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide

N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide (PubChem CID 119452707) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
PubChem CID119452707
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NC1CCNC1
InChIInChI=1S/C12H17N3O3/c1-8(11(16)15-9-4-5-13-7-9)14-12(17)10-3-2-6-18-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,14,17)(H,15,16)
InChIKeyJELKUYHHZUQSGD-UHFFFAOYSA-N
XLogP-0.12
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119390043
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
2-[2-(furan-2-carbonylamino)propanoylamino]cyclooctane-1-carboxylic acid
CID 120532925
N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
CID 136526076
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
2-cyclopropyl-2-[2-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43172563
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[1-[2-(cycloheptylamino)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119620715
N-[1-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46510433
N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24539621
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide (CID 119452707) is N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NC1CCNC1.
What is the InChIKey of N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide?
The InChIKey is JELKUYHHZUQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(11(16)15-9-4-5-13-7-9)14-12(17)10-3-2-6-18-10/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide?
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 119452707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).