4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

C25H29N5O2 — CID 67502011

IUPAC4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cc1NC(CO)c1ccccc1
InChIInChI=1S/C25H29N5O2/c26-25(32)21-16-27-24(15-22(21)29-23(17-31)18-7-3-1-4-8-18)28-19-9-11-20(12-10-19)30-13-5-2-6-14-30/h1,3-4,7-12,15-16,23,31H,2,5-6,13-14,17H2,(H2,26,32)(H2,27,28,29)
InChIKeyCEXUVUGMASITSO-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.06
Rot. Bonds8

About 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 67502011) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID67502011
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cc1NC(CO)c1ccccc1
InChIInChI=1S/C25H29N5O2/c26-25(32)21-16-27-24(15-22(21)29-23(17-31)18-7-3-1-4-8-18)28-19-9-11-20(12-10-19)30-13-5-2-6-14-30/h1,3-4,7-12,15-16,23,31H,2,5-6,13-14,17H2,(H2,26,32)(H2,27,28,29)
InChIKeyCEXUVUGMASITSO-UHFFFAOYSA-N
XLogP4.06
TPSA103.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[(2-hydroxy-1-phenylethyl)amino]pyridine-3-carboxamide
CID 66841364
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-(benzylamino)-6-[4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]anilino]pyridine-3-carboxamide
CID 87394872
4-(benzylamino)-6-[4-(4-ethylpiperazin-1-yl)anilino]pyridine-3-carboxamide;carbon dioxide
CID 158000288
N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 90703579
6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide
CID 118673045
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
CID 67501584
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (CID 67502011) is 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)cc1NC(CO)c1ccccc1.
What is the InChIKey of 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is CEXUVUGMASITSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c26-25(32)21-16-27-24(15-22(21)29-23(17-31)18-7-3-1-4-8-18)28-19-9-11-20(12-10-19)30-13-5-2-6-14-30/h1,3-4,7-12,15-16,23,31H,2,5-6,13-14,17H2,(H2,26,32)(H2,27,28,29).
What are the key properties of 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.06, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-1-phenylethyl)amino]-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67502011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).