6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid

C20H23N3O5 — CID 154771492

IUPAC6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCOc1cc(NC2CCN(C(=O)c3ccc(C(=O)O)cn3)CC2)cc(OC)c1
InChIInChI=1S/C20H23N3O5/c1-27-16-9-15(10-17(11-16)28-2)22-14-5-7-23(8-6-14)19(24)18-4-3-13(12-21-18)20(25)26/h3-4,9-12,14,22H,5-8H2,1-2H3,(H,25,26)
InChIKeyFIDNCYHTRSGKPF-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.51
Rot. Bonds6

About 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid

6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 154771492) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID154771492
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCOc1cc(NC2CCN(C(=O)c3ccc(C(=O)O)cn3)CC2)cc(OC)c1
InChIInChI=1S/C20H23N3O5/c1-27-16-9-15(10-17(11-16)28-2)22-14-5-7-23(8-6-14)19(24)18-4-3-13(12-21-18)20(25)26/h3-4,9-12,14,22H,5-8H2,1-2H3,(H,25,26)
InChIKeyFIDNCYHTRSGKPF-UHFFFAOYSA-N
XLogP2.51
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
[6-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133337448
6-(3-methoxypyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 103536805
[5-(cyclohexylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109183140
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
[4-(4-bromoanilino)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;oxalic acid
CID 163327888
(5-amino-2-methylphenyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647636
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
[(3S)-3-(3,5-dimethoxyanilino)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124568909
1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187301

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid (CID 154771492) is 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid is COc1cc(NC2CCN(C(=O)c3ccc(C(=O)O)cn3)CC2)cc(OC)c1.
What is the InChIKey of 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is FIDNCYHTRSGKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-16-9-15(10-17(11-16)28-2)22-14-5-7-23(8-6-14)19(24)18-4-3-13(12-21-18)20(25)26/h3-4,9-12,14,22H,5-8H2,1-2H3,(H,25,26).
What are the key properties of 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid?
6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154771492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).