(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide

C18H22N4O4S — CID 97104627

IUPAC(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCn1nc(N2CCC[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)ccc1=O
InChIInChI=1S/C18H22N4O4S/c1-21-17(23)10-9-16(20-21)22-11-3-4-13(12-22)18(24)19-14-5-7-15(8-6-14)27(2,25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyDNHSJBAZRPVRIK-CYBMUJFWSA-N
MW390.47 g/mol
LogP1.04
Rot. Bonds4

About (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide

(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 97104627) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID97104627
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCn1nc(N2CCC[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)ccc1=O
InChIInChI=1S/C18H22N4O4S/c1-21-17(23)10-9-16(20-21)22-11-3-4-13(12-22)18(24)19-14-5-7-15(8-6-14)27(2,25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyDNHSJBAZRPVRIK-CYBMUJFWSA-N
XLogP1.04
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
N-(3-chloro-2-methylphenyl)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxamide
CID 71795253
(3S)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95985916
N-cyclopropyl-1-[6-[2-(4-methylsulfonylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 53136149
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 71795251
ethyl 2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 71795261
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
2-methyl-6-pyrrolidin-1-ylpyridazin-3-one
CID 130616620
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide (CID 97104627) is (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide is Cn1nc(N2CCC[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)ccc1=O.
What is the InChIKey of (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is DNHSJBAZRPVRIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-21-17(23)10-9-16(20-21)22-11-3-4-13(12-22)18(24)19-14-5-7-15(8-6-14)27(2,25)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,24)/t13-/m1/s1.
What are the key properties of (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methyl-6-oxopyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 97104627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).