4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C25H22N4O2 — CID 118045548

IUPAC4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc(-c2ccncc2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O2/c26-24-22(14-21(15-28-24)17-10-12-27-13-11-17)18-6-8-20(9-7-18)25(31)29-23(16-30)19-4-2-1-3-5-19/h1-15,23,30H,16H2,(H2,26,28)(H,29,31)/t23-/m1/s1
InChIKeyRFDIHALFERFMQM-HSZRJFAPSA-N
MW410.48 g/mol
LogP3.86
Rot. Bonds6

About 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118045548) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID118045548
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1ncc(-c2ccncc2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1
InChIInChI=1S/C25H22N4O2/c26-24-22(14-21(15-28-24)17-10-12-27-13-11-17)18-6-8-20(9-7-18)25(31)29-23(16-30)19-4-2-1-3-5-19/h1-15,23,30H,16H2,(H2,26,28)(H,29,31)/t23-/m1/s1
InChIKeyRFDIHALFERFMQM-HSZRJFAPSA-N
XLogP3.86
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118045548) is 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Nc1ncc(-c2ccncc2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1.
What is the InChIKey of 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is RFDIHALFERFMQM-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-24-22(14-21(15-28-24)17-10-12-27-13-11-17)18-6-8-20(9-7-18)25(31)29-23(16-30)19-4-2-1-3-5-19/h1-15,23,30H,16H2,(H2,26,28)(H,29,31)/t23-/m1/s1.
What are the key properties of 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 410.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-pyridin-4-yl-3-pyridinyl)-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118045548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).