(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide

C20H24Cl2N4O — CID 51955118

IUPAC(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C20H24Cl2N4O/c1-3-13-7-8-16(21)15(4-2)19(13)23-20(27)14-6-5-11-26(12-14)18-10-9-17(22)24-25-18/h7-10,14H,3-6,11-12H2,1-2H3,(H,23,27)/t14-/m0/s1
InChIKeyUNFLRDWNQNTRPV-AWEZNQCLSA-N
MW407.35 g/mol
LogP4.76
Rot. Bonds5

About (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide

(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 51955118) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
PubChem CID51955118
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C20H24Cl2N4O/c1-3-13-7-8-16(21)15(4-2)19(13)23-20(27)14-6-5-11-26(12-14)18-10-9-17(22)24-25-18/h7-10,14H,3-6,11-12H2,1-2H3,(H,23,27)/t14-/m0/s1
InChIKeyUNFLRDWNQNTRPV-AWEZNQCLSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
(3S)-1-(6-chloropyridazin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 94162895
(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311
cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 167817663
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
(3S)-1-(6-chloropyridazin-3-yl)-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 51956458

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide (CID 51955118) is (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is UNFLRDWNQNTRPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-3-13-7-8-16(21)15(4-2)19(13)23-20(27)14-6-5-11-26(12-14)18-10-9-17(22)24-25-18/h7-10,14H,3-6,11-12H2,1-2H3,(H,23,27)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-2,6-diethylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51955118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).