methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate

C21H25N3O3 — CID 133432389

IUPACmethyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)nc1C
InChIInChI=1S/C21H25N3O3/c1-15-18(21(26)27-2)10-11-19(23-15)22-14-16-6-8-17(9-7-16)20(25)24-12-4-3-5-13-24/h6-11H,3-5,12-14H2,1-2H3,(H,22,23)
InChIKeyGIPOFLJFMHNPMB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.41
Rot. Bonds5

About methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate

methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate (PubChem CID 133432389) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate
PubChem CID133432389
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namemethyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)nc1C
InChIInChI=1S/C21H25N3O3/c1-15-18(21(26)27-2)10-11-19(23-15)22-14-16-6-8-17(9-7-16)20(25)24-12-4-3-5-13-24/h6-11H,3-5,12-14H2,1-2H3,(H,22,23)
InChIKeyGIPOFLJFMHNPMB-UHFFFAOYSA-N
XLogP3.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
methyl 4-[[2-amino-5-(azepane-1-carbonyl)anilino]methyl]benzoate
CID 20659877
methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate
CID 133434367
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
methyl 2-[4-(azepane-1-carbonyl)phenyl]-5-methoxybenzoate
CID 118772454
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 137336198

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate (CID 133432389) is methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NCc2ccc(C(=O)N3CCCCC3)cc2)nc1C.
What is the InChIKey of methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate?
The InChIKey is GIPOFLJFMHNPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-18(21(26)27-2)10-11-19(23-15)22-14-16-6-8-17(9-7-16)20(25)24-12-4-3-5-13-24/h6-11H,3-5,12-14H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate?
methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 133432389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).