N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide

C26H30N4O2 — CID 92622012

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1
InChIInChI=1S/C26H30N4O2/c1-32-19-23-8-3-2-7-20(23)15-29-26(31)21-11-12-25(28-16-21)22-9-6-14-30(17-22)18-24-10-4-5-13-27-24/h2-5,7-8,10-13,16,22H,6,9,14-15,17-19H2,1H3,(H,29,31)/t22-/m0/s1
InChIKeyHOHXOUKJUAFKEB-QFIPXVFZSA-N
MW430.55 g/mol
LogP3.93
Rot. Bonds8

About N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 92622012) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
PubChem CID92622012
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1
InChIInChI=1S/C26H30N4O2/c1-32-19-23-8-3-2-7-20(23)15-29-26(31)21-11-12-25(28-16-21)22-9-6-14-30(17-22)18-24-10-4-5-13-27-24/h2-5,7-8,10-13,16,22H,6,9,14-15,17-19H2,1H3,(H,29,31)/t22-/m0/s1
InChIKeyHOHXOUKJUAFKEB-QFIPXVFZSA-N
XLogP3.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621934
N-(2-cyclopentylethyl)-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92636232
N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110264343
(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone
CID 92621942
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
4-methoxy-N-[5-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97344523
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110248020
6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 125001236
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
4-[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazin-2-yl]oxybenzamide
CID 95822106

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide (CID 92622012) is N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide is COCc1ccccc1CNC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is HOHXOUKJUAFKEB-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-32-19-23-8-3-2-7-20(23)15-29-26(31)21-11-12-25(28-16-21)22-9-6-14-30(17-22)18-24-10-4-5-13-27-24/h2-5,7-8,10-13,16,22H,6,9,14-15,17-19H2,1H3,(H,29,31)/t22-/m0/s1.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92622012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).