2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide

C19H25N5O2 — CID 50968294

IUPAC2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCCOc1ccc(CN2CCN(c3nc(C)ccc3C(N)=O)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-3-26-17-7-5-15(12-21-17)13-23-8-10-24(11-9-23)19-16(18(20)25)6-4-14(2)22-19/h4-7,12H,3,8-11,13H2,1-2H3,(H2,20,25)
InChIKeyIAERAMBQGPWRMU-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.60
Rot. Bonds6

About 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide

2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide (PubChem CID 50968294) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide
PubChem CID50968294
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide
SMILESCCOc1ccc(CN2CCN(c3nc(C)ccc3C(N)=O)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-3-26-17-7-5-15(12-21-17)13-23-8-10-24(11-9-23)19-16(18(20)25)6-4-14(2)22-19/h4-7,12H,3,8-11,13H2,1-2H3,(H2,20,25)
InChIKeyIAERAMBQGPWRMU-UHFFFAOYSA-N
XLogP1.60
TPSA84.58 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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide (CID 50968294) is 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide is CCOc1ccc(CN2CCN(c3nc(C)ccc3C(N)=O)CC2)cn1.
What is the InChIKey of 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is IAERAMBQGPWRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-26-17-7-5-15(12-21-17)13-23-8-10-24(11-9-23)19-16(18(20)25)6-4-14(2)22-19/h4-7,12H,3,8-11,13H2,1-2H3,(H2,20,25).
What are the key properties of 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide?
2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 50968294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).