N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide

C19H20N4O2 — CID 166276863

IUPACN-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2nccc3occc23)ccc1N1CCNCC1
InChIInChI=1S/C19H20N4O2/c1-13-12-14(2-3-16(13)23-9-7-20-8-10-23)22-19(24)18-15-5-11-25-17(15)4-6-21-18/h2-6,11-12,20H,7-10H2,1H3,(H,22,24)
InChIKeyVSDMIULCRYMGRY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.80
Rot. Bonds3

About N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide

N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide (PubChem CID 166276863) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide
PubChem CID166276863
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2nccc3occc23)ccc1N1CCNCC1
InChIInChI=1S/C19H20N4O2/c1-13-12-14(2-3-16(13)23-9-7-20-8-10-23)22-19(24)18-15-5-11-25-17(15)4-6-21-18/h2-6,11-12,20H,7-10H2,1H3,(H,22,24)
InChIKeyVSDMIULCRYMGRY-UHFFFAOYSA-N
XLogP2.80
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide (CID 166276863) is N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide is Cc1cc(NC(=O)c2nccc3occc23)ccc1N1CCNCC1.
What is the InChIKey of N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide?
The InChIKey is VSDMIULCRYMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-12-14(2-3-16(13)23-9-7-20-8-10-23)22-19(24)18-15-5-11-25-17(15)4-6-21-18/h2-6,11-12,20H,7-10H2,1H3,(H,22,24).
What are the key properties of N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide?
N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-piperazin-1-ylphenyl)furo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 166276863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).