N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide

C20H21N5O2 — CID 134535529

IUPACN-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C20H21N5O2/c21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25/h1-6,11-13,22H,7-10,21H2,(H,24,26)
InChIKeyMGZAOBONEKRKNI-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.59
Rot. Bonds4

About N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide

N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 134535529) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide
PubChem CID134535529
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide
SMILESNc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCNCC2)cn1
InChIInChI=1S/C20H21N5O2/c21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25/h1-6,11-13,22H,7-10,21H2,(H,24,26)
InChIKeyMGZAOBONEKRKNI-UHFFFAOYSA-N
XLogP2.59
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
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-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide (CID 134535529) is N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide is Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(N2CCNCC2)cn1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide?
The InChIKey is MGZAOBONEKRKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-16-5-3-14(19-2-1-11-27-19)12-18(16)24-20(26)17-6-4-15(13-23-17)25-9-7-22-8-10-25/h1-6,11-13,22H,7-10,21H2,(H,24,26).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide?
N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-2-yl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 134535529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).