N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide

C18H24N6O4 — CID 75355255

IUPACN-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCN(CCNC(=O)C2C=CC=NC2=O)CC1
InChIInChI=1S/C18H24N6O4/c1-22-12-14(17(21-22)28-2)18(27)24-10-8-23(9-11-24)7-6-20-16(26)13-4-3-5-19-15(13)25/h3-5,12-13H,6-11H2,1-2H3,(H,20,26)
InChIKeyVRYTWQBEFLIWNE-UHFFFAOYSA-N
MW388.43 g/mol
LogP-0.91
Rot. Bonds6

About N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide

N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide (PubChem CID 75355255) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide
PubChem CID75355255
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC NameN-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCN(CCNC(=O)C2C=CC=NC2=O)CC1
InChIInChI=1S/C18H24N6O4/c1-22-12-14(17(21-22)28-2)18(27)24-10-8-23(9-11-24)7-6-20-16(26)13-4-3-5-19-15(13)25/h3-5,12-13H,6-11H2,1-2H3,(H,20,26)
InChIKeyVRYTWQBEFLIWNE-UHFFFAOYSA-N
XLogP-0.91
TPSA109.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 75355259
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71783270
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 75355231
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940597
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 71782948
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 176521046
1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780727

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide (CID 75355255) is N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide is COc1nn(C)cc1C(=O)N1CCN(CCNC(=O)C2C=CC=NC2=O)CC1.
What is the InChIKey of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide?
The InChIKey is VRYTWQBEFLIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-22-12-14(17(21-22)28-2)18(27)24-10-8-23(9-11-24)7-6-20-16(26)13-4-3-5-19-15(13)25/h3-5,12-13H,6-11H2,1-2H3,(H,20,26).
What are the key properties of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide?
N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of -0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 75355255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).