3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide

C27H24N4O4 — CID 155883791

IUPAC3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cccnc4)cc3)c2)cn1
InChIInChI=1S/C27H24N4O4/c1-35-25-12-11-23(16-29-25)30-27(34)21-5-2-4-20(14-21)24(17-32)31-26(33)19-9-7-18(8-10-19)22-6-3-13-28-15-22/h2-16,24,32H,17H2,1H3,(H,30,34)(H,31,33)/t24-/m1/s1
InChIKeyUMHOKFXGWJDPAC-XMMPIXPASA-N
MW468.51 g/mol
LogP3.87
Rot. Bonds8

About 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide

3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 155883791) has the molecular formula C27H24N4O4 and a molecular weight of 468.51 g/mol. Its IUPAC name is 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID155883791
Molecular FormulaC27H24N4O4
Molecular Weight468.51 g/mol
Exact Mass468.18
IUPAC Name3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cccnc4)cc3)c2)cn1
InChIInChI=1S/C27H24N4O4/c1-35-25-12-11-23(16-29-25)30-27(34)21-5-2-4-20(14-21)24(17-32)31-26(33)19-9-7-18(8-10-19)22-6-3-13-28-15-22/h2-16,24,32H,17H2,1H3,(H,30,34)(H,31,33)/t24-/m1/s1
InChIKeyUMHOKFXGWJDPAC-XMMPIXPASA-N
XLogP3.87
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide (CID 155883791) is 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4cccnc4)cc3)c2)cn1.
What is the InChIKey of 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is UMHOKFXGWJDPAC-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24N4O4/c1-35-25-12-11-23(16-29-25)30-27(34)21-5-2-4-20(14-21)24(17-32)31-26(33)19-9-7-18(8-10-19)22-6-3-13-28-15-22/h2-16,24,32H,17H2,1H3,(H,30,34)(H,31,33)/t24-/m1/s1.
What are the key properties of 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide?
3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 468.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-2-hydroxy-1-[(4-pyridin-3-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 155883791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).