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

C26H24N4O2 — CID 118045719

IUPAC4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)c1
InChIInChI=1S/C26H24N4O2/c1-17-14-28-12-11-22(17)21-13-23(25(27)29-15-21)18-7-9-20(10-8-18)26(32)30-24(16-31)19-5-3-2-4-6-19/h2-15,24,31H,16H2,1H3,(H2,27,29)(H,30,32)/t24-/m1/s1
InChIKeyXXBHYPOOXRSAQY-XMMPIXPASA-N
MW424.50 g/mol
LogP4.16
Rot. Bonds6

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

4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118045719) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID118045719
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESCc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)c1
InChIInChI=1S/C26H24N4O2/c1-17-14-28-12-11-22(17)21-13-23(25(27)29-15-21)18-7-9-20(10-8-18)26(32)30-24(16-31)19-5-3-2-4-6-19/h2-15,24,31H,16H2,1H3,(H2,27,29)(H,30,32)/t24-/m1/s1
InChIKeyXXBHYPOOXRSAQY-XMMPIXPASA-N
XLogP4.16
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.16
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-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118045719) is 4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Cc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2)c1.
What is the InChIKey of 4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is XXBHYPOOXRSAQY-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17-14-28-12-11-22(17)21-13-23(25(27)29-15-21)18-7-9-20(10-8-18)26(32)30-24(16-31)19-5-3-2-4-6-19/h2-15,24,31H,16H2,1H3,(H2,27,29)(H,30,32)/t24-/m1/s1.
What are the key properties of 4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.16, 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-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118045719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).