2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide

C16H25N5O2 — CID 30756321

IUPAC2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C16H25N5O2/c1-12(2)10-19-14(22)11-20-6-8-21(9-7-20)16-13(15(17)23)4-3-5-18-16/h3-5,12H,6-11H2,1-2H3,(H2,17,23)(H,19,22)
InChIKeyYSPCLQQANZXMEN-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.07
Rot. Bonds6

About 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 30756321) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID30756321
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C16H25N5O2/c1-12(2)10-19-14(22)11-20-6-8-21(9-7-20)16-13(15(17)23)4-3-5-18-16/h3-5,12H,6-11H2,1-2H3,(H2,17,23)(H,19,22)
InChIKeyYSPCLQQANZXMEN-UHFFFAOYSA-N
XLogP0.07
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 31536358
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
2-[4-[2-(4-ethynylanilino)-2-oxoethyl]-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 167755281
2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 132968653
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
2-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 86805748
2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 30737553
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
CID 63343846

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide (CID 30756321) is 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide is CC(C)CNC(=O)CN1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is YSPCLQQANZXMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(2)10-19-14(22)11-20-6-8-21(9-7-20)16-13(15(17)23)4-3-5-18-16/h3-5,12H,6-11H2,1-2H3,(H2,17,23)(H,19,22).
What are the key properties of 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 30756321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).