N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

C27H30N4O4 — CID 20867014

IUPACN-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)NCc4ccccc4OC)CC3)c2)c1
InChIInChI=1S/C27H30N4O4/c1-34-23-8-5-7-22(17-23)30-27(33)20-10-13-28-25(16-20)31-14-11-19(12-15-31)26(32)29-18-21-6-3-4-9-24(21)35-2/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyAEYQGZGFROZGGB-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.88
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide

N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 20867014) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID20867014
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)NCc4ccccc4OC)CC3)c2)c1
InChIInChI=1S/C27H30N4O4/c1-34-23-8-5-7-22(17-23)30-27(33)20-10-13-28-25(16-20)31-14-11-19(12-15-31)26(32)29-18-21-6-3-4-9-24(21)35-2/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyAEYQGZGFROZGGB-UHFFFAOYSA-N
XLogP3.88
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide (CID 20867014) is N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)NCc4ccccc4OC)CC3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is AEYQGZGFROZGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-23-8-5-7-22(17-23)30-27(33)20-10-13-28-25(16-20)31-14-11-19(12-15-31)26(32)29-18-21-6-3-4-9-24(21)35-2/h3-10,13,16-17,19H,11-12,14-15,18H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide?
N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 20867014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).