4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

C19H23N5O3 — CID 175658274

IUPAC4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCn1nc(C(=O)N2CCN(CCc3ccccc3)C(C(N)=O)C2)ccc1=O
InChIInChI=1S/C19H23N5O3/c1-22-17(25)8-7-15(21-22)19(27)24-12-11-23(16(13-24)18(20)26)10-9-14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H2,20,26)
InChIKeyUXWVTXOJTIVEON-UHFFFAOYSA-N
MW369.43 g/mol
LogP-0.37
Rot. Bonds5

About 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide

4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 175658274) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID175658274
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCn1nc(C(=O)N2CCN(CCc3ccccc3)C(C(N)=O)C2)ccc1=O
InChIInChI=1S/C19H23N5O3/c1-22-17(25)8-7-15(21-22)19(27)24-12-11-23(16(13-24)18(20)26)10-9-14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H2,20,26)
InChIKeyUXWVTXOJTIVEON-UHFFFAOYSA-N
XLogP-0.37
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124953550
(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124997614
2-methyl-6-[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]pyridazin-3-one
CID 56705502
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
6-(3-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)-2-methylpyridazin-3-one
CID 77094516
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 124984883
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
6-[(3S)-3-anilinopiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 96543274
6-(4-benzylsulfonylpiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121022762
(2S)-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125020064
(2S)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125004065

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide (CID 175658274) is 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is Cn1nc(C(=O)N2CCN(CCc3ccccc3)C(C(N)=O)C2)ccc1=O.
What is the InChIKey of 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is UXWVTXOJTIVEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-22-17(25)8-7-15(21-22)19(27)24-12-11-23(16(13-24)18(20)26)10-9-14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3,(H2,20,26).
What are the key properties of 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide?
4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 369.43 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 175658274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).