4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide

C26H29N5O2 — CID 58450567

IUPAC4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(CC(=O)C3CCNCC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C26H29N5O2/c27-26(33)22-17-30-25(15-23(22)29-16-19-4-2-1-3-5-19)31-21-8-6-18(7-9-21)14-24(32)20-10-12-28-13-11-20/h1-9,15,17,20,28H,10-14,16H2,(H2,27,33)(H2,29,30,31)
InChIKeyJSOYEBQKLYHMGB-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.65
Rot. Bonds9

About 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide

4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide (PubChem CID 58450567) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
PubChem CID58450567
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(CC(=O)C3CCNCC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C26H29N5O2/c27-26(33)22-17-30-25(15-23(22)29-16-19-4-2-1-3-5-19)31-21-8-6-18(7-9-21)14-24(32)20-10-12-28-13-11-20/h1-9,15,17,20,28H,10-14,16H2,(H2,27,33)(H2,29,30,31)
InChIKeyJSOYEBQKLYHMGB-UHFFFAOYSA-N
XLogP3.65
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide (CID 58450567) is 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(CC(=O)C3CCNCC3)cc2)cc1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide?
The InChIKey is JSOYEBQKLYHMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c27-26(33)22-17-30-25(15-23(22)29-16-19-4-2-1-3-5-19)31-21-8-6-18(7-9-21)14-24(32)20-10-12-28-13-11-20/h1-9,15,17,20,28H,10-14,16H2,(H2,27,33)(H2,29,30,31).
What are the key properties of 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide?
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.65, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 58450567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).