2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide

C27H30N4O3 — CID 164628938

IUPAC2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(OCC3CCN(Cc4ccccc4)CC3)c2)ccn1
InChIInChI=1S/C27H30N4O3/c1-20(32)29-26-16-23(10-13-28-26)27(33)30-24-8-5-9-25(17-24)34-19-22-11-14-31(15-12-22)18-21-6-3-2-4-7-21/h2-10,13,16-17,22H,11-12,14-15,18-19H2,1H3,(H,30,33)(H,28,29,32)
InChIKeySPPYZZZXSKUJLA-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.58
Rot. Bonds8

About 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide

2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide (PubChem CID 164628938) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide
PubChem CID164628938
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(OCC3CCN(Cc4ccccc4)CC3)c2)ccn1
InChIInChI=1S/C27H30N4O3/c1-20(32)29-26-16-23(10-13-28-26)27(33)30-24-8-5-9-25(17-24)34-19-22-11-14-31(15-12-22)18-21-6-3-2-4-7-21/h2-10,13,16-17,22H,11-12,14-15,18-19H2,1H3,(H,30,33)(H,28,29,32)
InChIKeySPPYZZZXSKUJLA-UHFFFAOYSA-N
XLogP4.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide (CID 164628938) is 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)Nc2cccc(OCC3CCN(Cc4ccccc4)CC3)c2)ccn1.
What is the InChIKey of 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide?
The InChIKey is SPPYZZZXSKUJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20(32)29-26-16-23(10-13-28-26)27(33)30-24-8-5-9-25(17-24)34-19-22-11-14-31(15-12-22)18-21-6-3-2-4-7-21/h2-10,13,16-17,22H,11-12,14-15,18-19H2,1H3,(H,30,33)(H,28,29,32).
What are the key properties of 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide?
2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[(1-benzylpiperidin-4-yl)methoxy]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 164628938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).