N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C21H23N5O2 — CID 134535530

IUPACN-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccoc4)ccc3N)cn2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-7-9-26(10-8-25)20-5-3-16(13-23-20)21(27)24-19-12-15(2-4-18(19)22)17-6-11-28-14-17/h2-6,11-14H,7-10,22H2,1H3,(H,24,27)
InChIKeyKXNMXYJBBGNQCN-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.93
Rot. Bonds4

About N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 134535530) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID134535530
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccoc4)ccc3N)cn2)CC1
InChIInChI=1S/C21H23N5O2/c1-25-7-9-26(10-8-25)20-5-3-16(13-23-20)21(27)24-19-12-15(2-4-18(19)22)17-6-11-28-14-17/h2-6,11-14H,7-10,22H2,1H3,(H,24,27)
InChIKeyKXNMXYJBBGNQCN-UHFFFAOYSA-N
XLogP2.93
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 134535530) is N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccoc4)ccc3N)cn2)CC1.
What is the InChIKey of N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is KXNMXYJBBGNQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-7-9-26(10-8-25)20-5-3-16(13-23-20)21(27)24-19-12-15(2-4-18(19)22)17-6-11-28-14-17/h2-6,11-14H,7-10,22H2,1H3,(H,24,27).
What are the key properties of N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-3-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134535530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).