2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide

C15H22N4O3 — CID 124750437

IUPAC2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C[C@H]2COCCO2)CC1
InChIInChI=1S/C15H22N4O3/c16-14(20)13-2-1-3-17-15(13)19-6-4-18(5-7-19)10-12-11-21-8-9-22-12/h1-3,12H,4-11H2,(H2,16,20)/t12-/m0/s1
InChIKeyCTIGEUWVELAYSV-LBPRGKRZSA-N
MW306.37 g/mol
LogP-0.28
Rot. Bonds4

About 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 124750437) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID124750437
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(C[C@H]2COCCO2)CC1
InChIInChI=1S/C15H22N4O3/c16-14(20)13-2-1-3-17-15(13)19-6-4-18(5-7-19)10-12-11-21-8-9-22-12/h1-3,12H,4-11H2,(H2,16,20)/t12-/m0/s1
InChIKeyCTIGEUWVELAYSV-LBPRGKRZSA-N
XLogP-0.28
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide (CID 124750437) is 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(C[C@H]2COCCO2)CC1.
What is the InChIKey of 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is CTIGEUWVELAYSV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3/c16-14(20)13-2-1-3-17-15(13)19-6-4-18(5-7-19)10-12-11-21-8-9-22-12/h1-3,12H,4-11H2,(H2,16,20)/t12-/m0/s1.
What are the key properties of 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 124750437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).