1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

C26H28N4O4 — CID 110151987

IUPAC1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(C(=O)c2ccc(OCc3ccccn3)c(OC)c2)C1
InChIInChI=1S/C26H28N4O4/c1-27-25(32)26(23-9-4-6-14-29-23)12-7-15-30(18-26)24(31)19-10-11-21(22(16-19)33-2)34-17-20-8-3-5-13-28-20/h3-6,8-11,13-14,16H,7,12,15,17-18H2,1-2H3,(H,27,32)
InChIKeyLNYITWIMUJZFPY-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.98
Rot. Bonds7

About 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 110151987) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID110151987
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccn2)CCCN(C(=O)c2ccc(OCc3ccccn3)c(OC)c2)C1
InChIInChI=1S/C26H28N4O4/c1-27-25(32)26(23-9-4-6-14-29-23)12-7-15-30(18-26)24(31)19-10-11-21(22(16-19)33-2)34-17-20-8-3-5-13-28-20/h3-6,8-11,13-14,16H,7,12,15,17-18H2,1-2H3,(H,27,32)
InChIKeyLNYITWIMUJZFPY-UHFFFAOYSA-N
XLogP2.98
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124972936
(3S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986297
(3R)-N-methyl-1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125003814
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051
1-[3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149427
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518
1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149750
(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124965815
(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722
methyl 3-(3,4-dimethoxybenzoyl)-7-oxo-9-(pyridin-2-ylmethoxy)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42171164

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 110151987) is 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)C1(c2ccccn2)CCCN(C(=O)c2ccc(OCc3ccccn3)c(OC)c2)C1.
What is the InChIKey of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is LNYITWIMUJZFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-27-25(32)26(23-9-4-6-14-29-23)12-7-15-30(18-26)24(31)19-10-11-21(22(16-19)33-2)34-17-20-8-3-5-13-28-20/h3-6,8-11,13-14,16H,7,12,15,17-18H2,1-2H3,(H,27,32).
What are the key properties of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110151987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).