(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide

C26H24N6O2 — CID 71453406

IUPAC(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ncccn2)CC1
InChIInChI=1S/C26H24N6O2/c33-23-21(16-20(17-30-23)19-7-13-27-14-8-19)31-24(34)22(15-18-5-2-1-3-6-18)32-26(9-10-26)25-28-11-4-12-29-25/h1-8,11-14,16-17,22,32H,9-10,15H2,(H,30,33)(H,31,34)/t22-/m0/s1
InChIKeyWJWWGOFGWOKXSL-QFIPXVFZSA-N
MW452.52 g/mol
LogP3.06
Rot. Bonds8

About (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide

(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide (PubChem CID 71453406) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
PubChem CID71453406
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ncccn2)CC1
InChIInChI=1S/C26H24N6O2/c33-23-21(16-20(17-30-23)19-7-13-27-14-8-19)31-24(34)22(15-18-5-2-1-3-6-18)32-26(9-10-26)25-28-11-4-12-29-25/h1-8,11-14,16-17,22,32H,9-10,15H2,(H,30,33)(H,31,34)/t22-/m0/s1
InChIKeyWJWWGOFGWOKXSL-QFIPXVFZSA-N
XLogP3.06
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
CID 67497012
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73352401
2-[2-oxo-3-[[(2S)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanoyl]amino]-5-pyridin-4-yl-1-pyridinyl]acetic acid
CID 71458768
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
CID 23339831
(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
CID 67497525
[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid
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2-(4-chlorophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 117074114
2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 117074116
2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-5-phenylfuran-3-carboxamide
CID 11530819
N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide
CID 110194367
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
CID 117074219

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-pyrimidin-2-ylcyclopropyl)amino]propanamide?
The IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide (CID 71453406) is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide?
The canonical SMILES for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ncccn2)CC1.
What is the InChIKey of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide?
The InChIKey is WJWWGOFGWOKXSL-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24N6O2/c33-23-21(16-20(17-30-23)19-7-13-27-14-8-19)31-24(34)22(15-18-5-2-1-3-6-18)32-26(9-10-26)25-28-11-4-12-29-25/h1-8,11-14,16-17,22,32H,9-10,15H2,(H,30,33)(H,31,34)/t22-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide?
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide has a molecular weight of 452.52 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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-pyrimidin-2-ylcyclopropyl)amino]propanamide is sourced from PubChem (CID 71453406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).