N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C18H24N4O3 — CID 111912291

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCC(C)(O)c3ccco3)ccn2)CC1
InChIInChI=1S/C18H24N4O3/c1-18(24,15-4-3-11-25-15)13-20-17(23)14-5-6-19-16(12-14)22-9-7-21(2)8-10-22/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,20,23)
InChIKeyISLRSSFVLHIIJT-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.06
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 111912291) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID111912291
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NCC(C)(O)c3ccco3)ccn2)CC1
InChIInChI=1S/C18H24N4O3/c1-18(24,15-4-3-11-25-15)13-20-17(23)14-5-6-19-16(12-14)22-9-7-21(2)8-10-22/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,20,23)
InChIKeyISLRSSFVLHIIJT-UHFFFAOYSA-N
XLogP1.06
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 111912291) is N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)NCC(C)(O)c3ccco3)ccn2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is ISLRSSFVLHIIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(24,15-4-3-11-25-15)13-20-17(23)14-5-6-19-16(12-14)22-9-7-21(2)8-10-22/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 111912291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).