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

C27H27N5O2 — CID 71458767

IUPAC(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide
SMILESCCC(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1
InChIInChI=1S/C27H27N5O2/c1-2-22(23-10-6-7-13-29-23)31-24(16-19-8-4-3-5-9-19)27(34)32-25-17-21(18-30-26(25)33)20-11-14-28-15-12-20/h3-15,17-18,22,24,31H,2,16H2,1H3,(H,30,33)(H,32,34)/t22?,24-/m0/s1
InChIKeyCMNAHEBAHXWERL-GITCGBDTSA-N
MW453.55 g/mol
LogP4.12
Rot. Bonds9

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

(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide (PubChem CID 71458767) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide
PubChem CID71458767
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide
SMILESCCC(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1
InChIInChI=1S/C27H27N5O2/c1-2-22(23-10-6-7-13-29-23)31-24(16-19-8-4-3-5-9-19)27(34)32-25-17-21(18-30-26(25)33)20-11-14-28-15-12-20/h3-15,17-18,22,24,31H,2,16H2,1H3,(H,30,33)(H,32,34)/t22?,24-/m0/s1
InChIKeyCMNAHEBAHXWERL-GITCGBDTSA-N
XLogP4.12
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.12
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-(1-pyridin-2-ylpropylamino)propanamide?
The IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide (CID 71458767) is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide?
The canonical SMILES for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide is CCC(N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccn1.
What is the InChIKey of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide?
The InChIKey is CMNAHEBAHXWERL-GITCGBDTSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-2-22(23-10-6-7-13-29-23)31-24(16-19-8-4-3-5-9-19)27(34)32-25-17-21(18-30-26(25)33)20-11-14-28-15-12-20/h3-15,17-18,22,24,31H,2,16H2,1H3,(H,30,33)(H,32,34)/t22?,24-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide?
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1-pyridin-2-ylpropylamino)propanamide has a molecular weight of 453.55 g/mol, XLogP of 4.12, 9 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-(1-pyridin-2-ylpropylamino)propanamide is sourced from PubChem (CID 71458767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).