(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide

C25H23N5O2 — CID 71460579

IUPAC(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1ccccn1
InChIInChI=1S/C25H23N5O2/c31-24-23(15-20(16-29-24)19-9-12-26-13-10-19)30-25(32)22(14-18-6-2-1-3-7-18)28-17-21-8-4-5-11-27-21/h1-13,15-16,22,28H,14,17H2,(H,29,31)(H,30,32)/t22-/m0/s1
InChIKeyKSSZQVWXWHOPPO-QFIPXVFZSA-N
MW425.49 g/mol
LogP3.17
Rot. Bonds8

About (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide

(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide (PubChem CID 71460579) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide
PubChem CID71460579
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1ccccn1
InChIInChI=1S/C25H23N5O2/c31-24-23(15-20(16-29-24)19-9-12-26-13-10-19)30-25(32)22(14-18-6-2-1-3-7-18)28-17-21-8-4-5-11-27-21/h1-13,15-16,22,28H,14,17H2,(H,29,31)(H,30,32)/t22-/m0/s1
InChIKeyKSSZQVWXWHOPPO-QFIPXVFZSA-N
XLogP3.17
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide (CID 71460579) is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1ccccn1.
What is the InChIKey of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is KSSZQVWXWHOPPO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24-23(15-20(16-29-24)19-9-12-26-13-10-19)30-25(32)22(14-18-6-2-1-3-7-18)28-17-21-8-4-5-11-27-21/h1-13,15-16,22,28H,14,17H2,(H,29,31)(H,30,32)/t22-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide?
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide has a molecular weight of 425.49 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 71460579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).