N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide

C18H22N4O3 — CID 30267377

IUPACN-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H22N4O3/c23-17(6-3-9-19-18(24)15-5-4-12-25-15)21-14-7-8-16(20-13-14)22-10-1-2-11-22/h4-5,7-8,12-13H,1-3,6,9-11H2,(H,19,24)(H,21,23)
InChIKeyOEOIQMWZVVGMTQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.42
Rot. Bonds7

About N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide

N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide (PubChem CID 30267377) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
PubChem CID30267377
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
SMILESO=C(CCCNC(=O)c1ccco1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H22N4O3/c23-17(6-3-9-19-18(24)15-5-4-12-25-15)21-14-7-8-16(20-13-14)22-10-1-2-11-22/h4-5,7-8,12-13H,1-3,6,9-11H2,(H,19,24)(H,21,23)
InChIKeyOEOIQMWZVVGMTQ-UHFFFAOYSA-N
XLogP2.42
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-[4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobutyl]furan-2-carboxamide
CID 55389157
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 31923776
N-[2-methyl-5-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 30266978
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-[4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide
CID 46820133
1-[3-(furan-2-ylmethoxy)propyl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 47040367

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide (CID 30267377) is N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide is O=C(CCCNC(=O)c1ccco1)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide?
The InChIKey is OEOIQMWZVVGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(6-3-9-19-18(24)15-5-4-12-25-15)21-14-7-8-16(20-13-14)22-10-1-2-11-22/h4-5,7-8,12-13H,1-3,6,9-11H2,(H,19,24)(H,21,23).
What are the key properties of N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide?
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide is sourced from PubChem (CID 30267377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).