2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide

C15H23N5O2 — CID 132968653

IUPAC2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)CCN1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C15H23N5O2/c1-18(2)13(21)5-7-19-8-10-20(11-9-19)15-12(14(16)22)4-3-6-17-15/h3-4,6H,5,7-11H2,1-2H3,(H2,16,22)
InChIKeyQWGGYXISABPDHV-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.22
Rot. Bonds5

About 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide

2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 132968653) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID132968653
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)CCN1CCN(c2ncccc2C(N)=O)CC1
InChIInChI=1S/C15H23N5O2/c1-18(2)13(21)5-7-19-8-10-20(11-9-19)15-12(14(16)22)4-3-6-17-15/h3-4,6H,5,7-11H2,1-2H3,(H2,16,22)
InChIKeyQWGGYXISABPDHV-UHFFFAOYSA-N
XLogP-0.22
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
2-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 86805748
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 30756321
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]pyridine-3-carboxamide
CID 10026785
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 63309811
2-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 75438560
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 124750437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide (CID 132968653) is 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide is CN(C)C(=O)CCN1CCN(c2ncccc2C(N)=O)CC1.
What is the InChIKey of 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is QWGGYXISABPDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18(2)13(21)5-7-19-8-10-20(11-9-19)15-12(14(16)22)4-3-6-17-15/h3-4,6H,5,7-11H2,1-2H3,(H2,16,22).
What are the key properties of 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide?
2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 132968653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).