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

C17H21N5O2 — CID 133470597

IUPAC4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCOc1cccc(N2CCN(c3ccncc3C(N)=O)CC2)n1
InChIInChI=1S/C17H21N5O2/c1-2-24-16-5-3-4-15(20-16)22-10-8-21(9-11-22)14-6-7-19-12-13(14)17(18)23/h3-7,12H,2,8-11H2,1H3,(H2,18,23)
InChIKeyXBQSJHSRFNUBSZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.30
Rot. Bonds5

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

4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133470597) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133470597
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCOc1cccc(N2CCN(c3ccncc3C(N)=O)CC2)n1
InChIInChI=1S/C17H21N5O2/c1-2-24-16-5-3-4-15(20-16)22-10-8-21(9-11-22)14-6-7-19-12-13(14)17(18)23/h3-7,12H,2,8-11H2,1H3,(H2,18,23)
InChIKeyXBQSJHSRFNUBSZ-UHFFFAOYSA-N
XLogP1.30
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
2-chloro-1-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 146085937
[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 154738087
4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133470712
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 63591436
3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122018993
2-[4-(1-chloroethyl)piperidin-1-yl]-6-ethoxypyridine
CID 106838569
2-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]phenol
CID 75383880

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (CID 133470597) is 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is CCOc1cccc(N2CCN(c3ccncc3C(N)=O)CC2)n1.
What is the InChIKey of 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is XBQSJHSRFNUBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-24-16-5-3-4-15(20-16)22-10-8-21(9-11-22)14-6-7-19-12-13(14)17(18)23/h3-7,12H,2,8-11H2,1H3,(H2,18,23).
What are the key properties of 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133470597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).