6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C19H24N6O2 — CID 3043070

IUPAC6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCN2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C19H24N6O2/c1-15(26)23-17-6-5-16(14-22-17)19(27)21-8-9-24-10-12-25(13-11-24)18-4-2-3-7-20-18/h2-7,14H,8-13H2,1H3,(H,21,27)(H,22,23,26)
InChIKeyQWNUURXXBGFVRI-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.99
Rot. Bonds6

About 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 3043070) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID3043070
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCCN2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C19H24N6O2/c1-15(26)23-17-6-5-16(14-22-17)19(27)21-8-9-24-10-12-25(13-11-24)18-4-2-3-7-20-18/h2-7,14H,8-13H2,1H3,(H,21,27)(H,22,23,26)
InChIKeyQWNUURXXBGFVRI-UHFFFAOYSA-N
XLogP0.99
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Nevirapine
CID 4463
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Nicaraven
CID 71234
BPKDi
CID 46901383
Unii-O3pen5V8WL
CID 453331
AQ-RA 741
CID 129989
2-Hydroxy nevirapine
CID 10850461
2-(4-{6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-7-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
CID 453243

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 3043070) is 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(C(=O)NCCN2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is QWNUURXXBGFVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-15(26)23-17-6-5-16(14-22-17)19(27)21-8-9-24-10-12-25(13-11-24)18-4-2-3-7-20-18/h2-7,14H,8-13H2,1H3,(H,21,27)(H,22,23,26).
What are the key properties of 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3043070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).