N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C26H30N4O2 — CID 46068684

IUPACN-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C26H30N4O2/c1-19-9-10-23(26(31)28-17-22-7-3-4-8-24(22)32-2)25(29-19)21-11-14-30(15-12-21)18-20-6-5-13-27-16-20/h3-10,13,16,21H,11-12,14-15,17-18H2,1-2H3,(H,28,31)
InChIKeyJYFQBPRBGJYVAN-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.10
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 46068684) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID46068684
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C26H30N4O2/c1-19-9-10-23(26(31)28-17-22-7-3-4-8-24(22)32-2)25(29-19)21-11-14-30(15-12-21)18-20-6-5-13-27-16-20/h3-10,13,16,21H,11-12,14-15,17-18H2,1-2H3,(H,28,31)
InChIKeyJYFQBPRBGJYVAN-UHFFFAOYSA-N
XLogP4.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 46068684) is N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JYFQBPRBGJYVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-9-10-23(26(31)28-17-22-7-3-4-8-24(22)32-2)25(29-19)21-11-14-30(15-12-21)18-20-6-5-13-27-16-20/h3-10,13,16,21H,11-12,14-15,17-18H2,1-2H3,(H,28,31).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46068684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).