N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide

C31H32N4O2 — CID 66710250

IUPACN-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)cc2)cc1
InChIInChI=1S/C31H32N4O2/c1-37-29-14-9-25(10-15-29)24-7-11-26(12-8-24)33-28-13-16-30(32-21-28)31(36)34-27-17-19-35(20-18-27)22-23-5-3-2-4-6-23/h2-16,21,27,33H,17-20,22H2,1H3,(H,34,36)
InChIKeyYAMQWOAVLNMDPS-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.90
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide (PubChem CID 66710250) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide
PubChem CID66710250
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide
SMILESCOc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)cc2)cc1
InChIInChI=1S/C31H32N4O2/c1-37-29-14-9-25(10-15-29)24-7-11-26(12-8-24)33-28-13-16-30(32-21-28)31(36)34-27-17-19-35(20-18-27)22-23-5-3-2-4-6-23/h2-16,21,27,33H,17-20,22H2,1H3,(H,34,36)
InChIKeyYAMQWOAVLNMDPS-UHFFFAOYSA-N
XLogP5.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide (CID 66710250) is N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide is COc1ccc(-c2ccc(Nc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)nc3)cc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide?
The InChIKey is YAMQWOAVLNMDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c1-37-29-14-9-25(10-15-29)24-7-11-26(12-8-24)33-28-13-16-30(32-21-28)31(36)34-27-17-19-35(20-18-27)22-23-5-3-2-4-6-23/h2-16,21,27,33H,17-20,22H2,1H3,(H,34,36).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-[4-(4-methoxyphenyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 66710250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).