N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride

C12H18ClN3O3 — CID 119450150

IUPACN-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1ccco1)NC1CCNC1
InChIInChI=1S/C12H17N3O3.ClH/c16-11(15-9-3-5-13-8-9)4-6-14-12(17)10-2-1-7-18-10;/h1-2,7,9,13H,3-6,8H2,(H,14,17)(H,15,16);1H
InChIKeyAPPFECDYDZTDBA-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.30
Rot. Bonds5

About N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride

N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride (PubChem CID 119450150) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
PubChem CID119450150
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC NameN-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1ccco1)NC1CCNC1
InChIInChI=1S/C12H17N3O3.ClH/c16-11(15-9-3-5-13-8-9)4-6-14-12(17)10-2-1-7-18-10;/h1-2,7,9,13H,3-6,8H2,(H,14,17)(H,15,16);1H
InChIKeyAPPFECDYDZTDBA-UHFFFAOYSA-N
XLogP0.30
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
3-[[benzyl(methyl)carbamoyl]amino]-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451808
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119609655
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119428252
N-[1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]furan-2-carboxamide
CID 119452707
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]furan-2-carboxamide
CID 120657817
N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55836827

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride (CID 119450150) is N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)c1ccco1)NC1CCNC1.
What is the InChIKey of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride?
The InChIKey is APPFECDYDZTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c16-11(15-9-3-5-13-8-9)4-6-14-12(17)10-2-1-7-18-10;/h1-2,7,9,13H,3-6,8H2,(H,14,17)(H,15,16);1H.
What are the key properties of N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride?
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119450150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).