6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide

C19H25N5O2 — CID 47065935

IUPAC6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C19H25N5O2/c1-3-26-18-5-4-16(14-21-18)19(25)22-13-15-6-7-20-17(12-15)24-10-8-23(2)9-11-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,22,25)
InChIKeyMOAALBYMVCDDJG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.56
Rot. Bonds6

About 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide

6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 47065935) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID47065935
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C19H25N5O2/c1-3-26-18-5-4-16(14-21-18)19(25)22-13-15-6-7-20-17(12-15)24-10-8-23(2)9-11-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,22,25)
InChIKeyMOAALBYMVCDDJG-UHFFFAOYSA-N
XLogP1.56
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide (CID 47065935) is 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cn1.
What is the InChIKey of 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is MOAALBYMVCDDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-26-18-5-4-16(14-21-18)19(25)22-13-15-6-7-20-17(12-15)24-10-8-23(2)9-11-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,22,25).
What are the key properties of 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47065935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).