N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide

C13H15N3O3 — CID 106385845

IUPACN-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCc1cc[nH]c1
InChIInChI=1S/C13H15N3O3/c17-12(16-9-10-3-5-14-8-10)4-6-15-13(18)11-2-1-7-19-11/h1-3,5,7-8,14H,4,6,9H2,(H,15,18)(H,16,17)
InChIKeyWBERBTIZALQFEI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.04
Rot. Bonds6

About N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide

N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide (PubChem CID 106385845) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
PubChem CID106385845
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCc1cc[nH]c1
InChIInChI=1S/C13H15N3O3/c17-12(16-9-10-3-5-14-8-10)4-6-15-13(18)11-2-1-7-19-11/h1-3,5,7-8,14H,4,6,9H2,(H,15,18)(H,16,17)
InChIKeyWBERBTIZALQFEI-UHFFFAOYSA-N
XLogP1.04
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210
N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26656678
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[2-(3-aminopropanoylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119278257
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-[2-(3-chloropropanoylamino)ethyl]furan-2-carboxamide
CID 108571149

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide (CID 106385845) is N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NCc1cc[nH]c1.
What is the InChIKey of N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide?
The InChIKey is WBERBTIZALQFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(16-9-10-3-5-14-8-10)4-6-15-13(18)11-2-1-7-19-11/h1-3,5,7-8,14H,4,6,9H2,(H,15,18)(H,16,17).
What are the key properties of N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide?
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 106385845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).