2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide

C17H18N4O4 — CID 138989560

IUPAC2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H18N4O4/c22-15(19-7-8-20-17(24)13-2-1-9-25-13)12-5-6-18-14(10-12)21-16(23)11-3-4-11/h1-2,5-6,9-11H,3-4,7-8H2,(H,19,22)(H,20,24)(H,18,21,23)
InChIKeyYCEFAXYHLVTFHH-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.18
Rot. Bonds7

About 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide (PubChem CID 138989560) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
PubChem CID138989560
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H18N4O4/c22-15(19-7-8-20-17(24)13-2-1-9-25-13)12-5-6-18-14(10-12)21-16(23)11-3-4-11/h1-2,5-6,9-11H,3-4,7-8H2,(H,19,22)(H,20,24)(H,18,21,23)
InChIKeyYCEFAXYHLVTFHH-UHFFFAOYSA-N
XLogP1.18
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
1-[3-(furan-2-carbonylamino)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39701754
2-(cyclopropanecarbonylamino)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 138997636
N-[2-(cyclopropanecarbonylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 115598986
2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide
CID 136541956
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417
N-[2-[(3,4,5-trihydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108538997
N-[2-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 856521
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 136541713
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide (CID 138989560) is 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide is O=C(NCCNC(=O)c1ccco1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is YCEFAXYHLVTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-15(19-7-8-20-17(24)13-2-1-9-25-13)12-5-6-18-14(10-12)21-16(23)11-3-4-11/h1-2,5-6,9-11H,3-4,7-8H2,(H,19,22)(H,20,24)(H,18,21,23).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 138989560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).