5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide

C19H23ClN4O3 — CID 133362411

IUPAC5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cc(NC2CCCN(c3ncc(C(N)=O)cc3Cl)C2)cc(OC)c1
InChIInChI=1S/C19H23ClN4O3/c1-26-15-7-14(8-16(9-15)27-2)23-13-4-3-5-24(11-13)19-17(20)6-12(10-22-19)18(21)25/h6-10,13,23H,3-5,11H2,1-2H3,(H2,21,25)
InChIKeyYUXICSIADCTJJZ-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.93
Rot. Bonds6

About 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133362411) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133362411
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cc(NC2CCCN(c3ncc(C(N)=O)cc3Cl)C2)cc(OC)c1
InChIInChI=1S/C19H23ClN4O3/c1-26-15-7-14(8-16(9-15)27-2)23-13-4-3-5-24(11-13)19-17(20)6-12(10-22-19)18(21)25/h6-10,13,23H,3-5,11H2,1-2H3,(H2,21,25)
InChIKeyYUXICSIADCTJJZ-UHFFFAOYSA-N
XLogP2.93
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
5-chloro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56814395
5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 94124833
N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine
CID 166218977
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133278205
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
CID 133311263
5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 71978493
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
N-(3,5-dimethoxyphenyl)-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-amine
CID 133420175
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 100908584
(3R)-N-(2-chlorophenyl)-3-(3,5-dimethoxyanilino)piperidine-1-carboxamide
CID 96542823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide (CID 133362411) is 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide is COc1cc(NC2CCCN(c3ncc(C(N)=O)cc3Cl)C2)cc(OC)c1.
What is the InChIKey of 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is YUXICSIADCTJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-26-15-7-14(8-16(9-15)27-2)23-13-4-3-5-24(11-13)19-17(20)6-12(10-22-19)18(21)25/h6-10,13,23H,3-5,11H2,1-2H3,(H2,21,25).
What are the key properties of 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133362411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).