6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide

C20H27N5O4S — CID 67501308

IUPAC6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cc(NC[C@H]3CCCN(S(C)(=O)=O)C3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C20H27N5O4S/c1-29-16-7-5-15(6-8-16)24-19-10-18(17(12-23-19)20(21)26)22-11-14-4-3-9-25(13-14)30(2,27)28/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H2,21,26)(H2,22,23,24)/t14-/m1/s1
InChIKeyZIBPUXCLDASZOB-CQSZACIVSA-N
MW433.53 g/mol
LogP2.02
Rot. Bonds8

About 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide

6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide (PubChem CID 67501308) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide
PubChem CID67501308
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cc(NC[C@H]3CCCN(S(C)(=O)=O)C3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C20H27N5O4S/c1-29-16-7-5-15(6-8-16)24-19-10-18(17(12-23-19)20(21)26)22-11-14-4-3-9-25(13-14)30(2,27)28/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H2,21,26)(H2,22,23,24)/t14-/m1/s1
InChIKeyZIBPUXCLDASZOB-CQSZACIVSA-N
XLogP2.02
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-acetylpiperidin-3-yl)methylamino]-6-[3-chloro-4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
CID 67502506
4-methoxy-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610681
4-fluoro-3-methoxy-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 114839567
4-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79605512
3-(methoxymethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79610673
4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene
CID 143999950
1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine
CID 79778965
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-4-propylaniline
CID 79613286
3-bromo-4-fluoro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 104777744
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]aniline
CID 79619930
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide (CID 67501308) is 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide is COc1ccc(Nc2cc(NC[C@H]3CCCN(S(C)(=O)=O)C3)c(C(N)=O)cn2)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is ZIBPUXCLDASZOB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-29-16-7-5-15(6-8-16)24-19-10-18(17(12-23-19)20(21)26)22-11-14-4-3-9-25(13-14)30(2,27)28/h5-8,10,12,14H,3-4,9,11,13H2,1-2H3,(H2,21,26)(H2,22,23,24)/t14-/m1/s1.
What are the key properties of 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide?
6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 67501308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).