2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide

C29H32N6O3 — CID 160789477

IUPAC2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ncc(-c2ccnc(C(C)(C)C(=O)NCCN3CCOCC3)c2)nc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C29H32N6O3/c1-20-27(25-18-23(34-38-25)21-7-5-4-6-8-21)33-24(19-32-20)22-9-10-30-26(17-22)29(2,3)28(36)31-11-12-35-13-15-37-16-14-35/h4-10,17-19H,11-16H2,1-3H3,(H,31,36)
InChIKeyVCVHWYQTDPTKFS-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.90
Rot. Bonds8

About 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide

2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 160789477) has the molecular formula C29H32N6O3 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID160789477
Molecular FormulaC29H32N6O3
Molecular Weight512.61 g/mol
Exact Mass512.25
IUPAC Name2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCc1ncc(-c2ccnc(C(C)(C)C(=O)NCCN3CCOCC3)c2)nc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C29H32N6O3/c1-20-27(25-18-23(34-38-25)21-7-5-4-6-8-21)33-24(19-32-20)22-9-10-30-26(17-22)29(2,3)28(36)31-11-12-35-13-15-37-16-14-35/h4-10,17-19H,11-16H2,1-3H3,(H,31,36)
InChIKeyVCVHWYQTDPTKFS-UHFFFAOYSA-N
XLogP3.90
TPSA106.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-2-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25125725
N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25126382
N-[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 44591573
5-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-oxazole-3-carboxamide
CID 71462682
5-methyl-3-phenyl-N,N-bis(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 2738482
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 25206055
5-[5-Amino-6-[3-[4-[(2-fluoroethylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
CID 54673903
5-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
CID 134588230
US11091471, Example 115
CID 134588625
US11091471, Example 86
CID 134590432
US11306078, Example 1.154a
CID 138676437
US11306078, Example 1.125a
CID 141678025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide (CID 160789477) is 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide is Cc1ncc(-c2ccnc(C(C)(C)C(=O)NCCN3CCOCC3)c2)nc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is VCVHWYQTDPTKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3/c1-20-27(25-18-23(34-38-25)21-7-5-4-6-8-21)33-24(19-32-20)22-9-10-30-26(17-22)29(2,3)28(36)31-11-12-35-13-15-37-16-14-35/h4-10,17-19H,11-16H2,1-3H3,(H,31,36).
What are the key properties of 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide?
2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 512.61 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[5-methyl-6-(3-phenyl-1,2-oxazol-5-yl)pyrazin-2-yl]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 160789477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).